Author index - International Union of CrystallographyAuthor index Entries refer to chapter number....

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Author index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov, A. V., 2.5 Abrahams, S. C., 2.3, 2.4 Abramowitz, M., 2.1 Achard, M. F., 4.4 Acharya, R., 2.3 Adams, M. J., 2.3, 2.4 Addison, A. W., 2.3 Adlhart, W., 4.2 Aeppli, G., 4.4 Afanas’ev, A. M., 5.3 Agard, D. A., 2.4 Agarwal, R. C., 1.3, 2.4 Aharonov, Y., 3.3 Aharony, A., 4.4 Ahlfors, L. V., 1.3 Ahmed, F. R., 1.3 A ˚ kervall, K., 2.3 Akhiezer, N. I., 1.3 Akimoto, T., 2.3 Al Haddad, M., 5.3 Al-Khayat, H. A., 4.5 Alben, R., 4.4 Albertini, G., 5.3 Alden, R. A., 1.3 Alexander, L. E., 4.2 Alexeev, D. G., 4.5 Allegra, G., 2.2 Allen, F. H., 3.3 Allen, L. J., 4.3 Allinger, N. L., 3.3 Als-Nielsen, J., 4.4 Alston, N. A., 1.3 Altermatt, U. D., 1.4 Altmann, S. L., 1.5 Altomare, A., 2.2 Altona, C., 3.3 Amador, S., 4.4 Amelinckx, S., 4.3 Amma, E. L., 3.3 Amoro ´s, J. L., 4.2 Amoro ´s, M., 4.2 Amos, L. A., 2.5 An, M., 1.3 Anderson, D. C., 3.3 Anderson, P. W., 4.4 Anderson, S., 3.3 Anderson, S. C., 2.5 Andersson, B., 4.3 Andersson, G., 4.4 Ando, M., 5.3 Andreeva, N. S., 2.4 Andrews, J. W., 2.5 Angress, J. F., 4.1 Anzenhofer, K., 2.2 Apostol, T. M., 1.3 Arai, M., 4.2 Ardito, G., 2.2 Arfken, G., 1.2, 3.4 Argos, P., 2.2, 2.3 Arif, M., 5.3 Arley, N., 3.2 Arndt, U. W., 2.4, 4.2 Arnold, D. B., 3.3 Arnold, E., 2.3 Arnold, H., 1.1, 1.3 Arnott, S., 4.5 Aroyo, M. I., 1.5 Arrott, A. S., 5.3 Arthur, J., 5.3 Artin, E., 1.3 Ascher, E., 1.3 Ash, J. M., 1.3 Ashcroft, N. W., 1.1 Ashida, T., 2.4 Atkins, E. D. T., 4.5 Atwood, D. K., 5.3 Au, A. Y., 2.5, 4.2 Auslander, L., 1.3 Authier, A., 1.4, 5.1 Avery, J., 1.2 Avilov, A. S., 2.5 Avraham, D. ben, 4.5 Avrami, M., 2.2 Axe, J. D., 4.2 Axel, F., 4.6 Ayoub, R., 1.3 Bacon, G. E., 5.3 Badurek, G., 5.3 Baer, E., 4.5 Bagchi, S. N., 2.3, 4.2, 4.5 Baggio, R., 2.2 Baird, T., 2.5 Bak, H. J., 2.3 Bak, P., 4.4 Baker, E. N., 1.3, 2.3 Baker, T. S., 2.3 Baldwin, J. M., 2.5 Balibar, F., 5.1 Banaszak, L. J., 2.3 Bancel, P. A., 4.6 Bando, Y., 2.5 Banerjee, K., 2.2 Bannister, C., 2.5 Bansal, M., 1.3 Bantz, D., 1.3 Barakat, R., 1.3, 2.1 Bardhan, P., 4.2 Barham, P. J., 4.5 Barnea, Z., 1.2 Barnes, W. H., 1.3 Barois, P., 4.4 Barrett, A. N., 1.3 Barrington Leigh, J., 4.5 Barry, C. D., 3.3 Bartels, K., 1.3, 2.3, 2.4 Baruchel, J., 5.3 Barynin, V. V., 2.5 Baryshevskii, V. G., 5.3 Basett-Jones, D. P., 2.5 Bash, P. A., 3.3 Baskaran, S., 4.5 Batterman, B. W., 5.1 Baturic-Rubcic, J., 4.4 Bauer, G., 4.2 Bauspiess, W., 5.3 Beaglehole, D., 4.4 Bean, J. C., 2.5 Becker, P. J., 1.2, 5.3 Beckmann, E., 2.5 Beddell, C., 3.3 Bedzyk, M. J., 5.1 Beevers, C. A., 1.3, 2.3 Beintema, J. J., 2.3 Bellamy, H. D., 3.3 Bellamy, K., 4.5 Bellard, S., 3.3 Bellman, R., 1.3 Bellocq, A. M., 4.4 Belova, N. E., 5.3 Belyakov, V. A., 5.3 Benattar, J. J., 4.4 Bender, R., 2.5 Bengtsson, U., 2.3 Benguigui, L., 4.4 Bennett, J. M., 1.3 Bensimon, D., 4.4 Bentley, J., 1.2 Berberian, S. K., 1.3 Berger, J. E., 2.5 Bergman, G., 3.2 Bergmann, K., 4.4 Berliner, R., 5.3 Berman, H. M., 1.4 Bernstein, F. C., 3.3 Bernstein, H. J., 5.3 Bernstein, S., 2.1 Berry, M. V., 5.2 Bertaut, E. F., 1.3, 1.4, 2.2, 3.4 Berthou, J., 2.3 Bessie `re, M., 4.2 Bethe, H. A., 1.2, 2.5, 5.2 Bethge, P. H., 3.3 Beurskens, G., 2.2 Beurskens, P. T., 2.2, 2.3 Beyeler, H. U., 4.2 Bhat, T. N., 2.3, 2.4 Bhattacharya, R. N., 1.3 Bieberbach, L., 1.3 Bienenstock, A., 1.3, 1.4 Bijvoet, J. M., 2.2, 2.3, 2.4 Bilderback, D. H., 5.1 Bilhorn, D. E., 2.5 Billard, J., 4.4 Billard, L., 4.6 Bilz, H., 4.1 Bing, D. H., 3.3 Birgeneau, R. J., 4.4 Biswas, A., 4.5 Blackman, M., 2.5, 4.1, 5.2 Blackwell, J., 4.5 Blahut, R. E., 1.3 Blech, I., 2.5, 4.6 Bleistein, N., 1.3 Bley, F., 4.2 Blinc, R., 4.4 Bloch, F., 1.1, 4.1 Bloomer, A. C., 1.3, 2.3, 3.3 Blow, D. M., 1.3, 2.2, 2.3, 2.4 Bluhm, M. M., 2.3 Blume, J., 5.2 Blume, M., 5.3 Blundell, D. J., 4.5 Blundell, T. L., 2.3, 2.4 Bochner, S., 1.3 Bode, W., 1.3, 2.4 Bodo, G., 2.3 Boege, U., 2.3 Boeuf, A., 5.3 Bo ¨hm, H., 4.6 Bo ¨hme, R., 2.2 Bokhoven, C., 2.4 Bokun, R. Ch., 5.3 Bommel, A. J. van, 2.3, 2.4 Bondot, P., 1.3 Bonnet, M., 5.3 Bono, P. R., 3.3 Bonse, U., 5.1, 5.3 Boon, M., 1.5 Booth, A. D., 1.3 Borell, A., 2.3 Borie, B., 4.2 Born, M., 1.2, 1.3, 4.1, 5.1, 5.2 Borrmann, G., 5.1 Bosman, W. P., 2.2 Bo ¨ttger, H., 4.2 Bouckaert, L. P., 1.5 Boulay, D. J. du, 1.4, 2.2 Bouman, J., 2.2 Bourne, P. E., 1.4 Boutin, H., 4.1 Bowen, D. K., 5.1 Boyd, D. B., 3.3 Boyer, L., 4.1 Boyle, L. L., 1.5 Boysen, H., 4.2 Bracewell, B. N., 2.5 Bracewell, R. N., 1.3 Bradler, J., 5.3 Bradley, A. J., 2.4 Bradley, C. J., 1.5, 4.2 Bragg, L., 1.4 Bragg, W. H., 1.3 Bragg, W. L., 1.3, 2.3, 5.1 Bra ¨mer, R., 4.2 Brand, P., 4.4 Brandenburg, N. P., 3.3 Braslau, A., 4.4 Braun, H., 3.3 Braun, P. B., 2.3 Bremermann, H., 1.3 Bremmer, H., 1.3 Brennan, S., 5.1 Brice, M. D., 1.3, 3.3 Bricogne, G., 1.3, 2.2, 2.3, 2.5, 3.3, 4.5 Brigham, E. O., 1.3 Brill, R., 1.3 Brinkman, W. F., 4.4 Brisbin, D., 4.4 Brisse, F., 2.5, 4.5 Britten, P. L., 1.3, 2.2 Brock, J. D., 4.4 Brockhouse, B. N., 4.1 Brooks, B. R., 3.3 Brooks, J. D., 4.4 Brown, C. J., 4.5 Brown, F., 2.3 Brown, G. S., 4.4 Brown, H., 1.3 Brown, I. D., 1.4 Brown, M. D., 3.3 Brucolleri, R. E., 3.3 Bruijn, N. G. de, 1.3 Bruins, E. M., 4.5 Bruins Slot, H. J., 2.2 Bruinsma, R., 4.4 Bru ¨mmer, O., 5.1 Bru ¨nger, A. T., 1.3, 4.5 571

Transcript of Author index - International Union of CrystallographyAuthor index Entries refer to chapter number....

Page 1: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Author indexEntries refer to chapter number.

Abad-Zapatero, C., 2.3, 3.3Abdel-Meguid, S. S., 2.3, 3.3Abi-Ezzi, S. S., 3.3Ablov, A. V., 2.5Abrahams, S. C., 2.3, 2.4Abramowitz, M., 2.1Achard, M. F., 4.4Acharya, R., 2.3Adams, M. J., 2.3, 2.4Addison, A. W., 2.3Adlhart, W., 4.2Aeppli, G., 4.4Afanas’ev, A. M., 5.3Agard, D. A., 2.4Agarwal, R. C., 1.3, 2.4Aharonov, Y., 3.3Aharony, A., 4.4Ahlfors, L. V., 1.3Ahmed, F. R., 1.3Akervall, K., 2.3Akhiezer, N. I., 1.3Akimoto, T., 2.3Al Haddad, M., 5.3Al-Khayat, H. A., 4.5Alben, R., 4.4Albertini, G., 5.3Alden, R. A., 1.3Alexander, L. E., 4.2Alexeev, D. G., 4.5Allegra, G., 2.2Allen, F. H., 3.3Allen, L. J., 4.3Allinger, N. L., 3.3Als-Nielsen, J., 4.4Alston, N. A., 1.3Altermatt, U. D., 1.4Altmann, S. L., 1.5Altomare, A., 2.2Altona, C., 3.3Amador, S., 4.4Amelinckx, S., 4.3Amma, E. L., 3.3Amoros, J. L., 4.2Amoros, M., 4.2Amos, L. A., 2.5An, M., 1.3Anderson, D. C., 3.3Anderson, P. W., 4.4Anderson, S., 3.3Anderson, S. C., 2.5Andersson, B., 4.3Andersson, G., 4.4Ando, M., 5.3Andreeva, N. S., 2.4Andrews, J. W., 2.5Angress, J. F., 4.1Anzenhofer, K., 2.2Apostol, T. M., 1.3Arai, M., 4.2Ardito, G., 2.2Arfken, G., 1.2, 3.4Argos, P., 2.2, 2.3Arif, M., 5.3Arley, N., 3.2Arndt, U. W., 2.4, 4.2Arnold, D. B., 3.3Arnold, E., 2.3Arnold, H., 1.1, 1.3

Arnott, S., 4.5Aroyo, M. I., 1.5Arrott, A. S., 5.3Arthur, J., 5.3Artin, E., 1.3Ascher, E., 1.3Ash, J. M., 1.3Ashcroft, N. W., 1.1Ashida, T., 2.4Atkins, E. D. T., 4.5Atwood, D. K., 5.3Au, A. Y., 2.5, 4.2Auslander, L., 1.3Authier, A., 1.4, 5.1Avery, J., 1.2Avilov, A. S., 2.5Avraham, D. ben, 4.5Avrami, M., 2.2Axe, J. D., 4.2Axel, F., 4.6Ayoub, R., 1.3

Bacon, G. E., 5.3Badurek, G., 5.3Baer, E., 4.5Bagchi, S. N., 2.3, 4.2, 4.5Baggio, R., 2.2Baird, T., 2.5Bak, H. J., 2.3Bak, P., 4.4Baker, E. N., 1.3, 2.3Baker, T. S., 2.3Baldwin, J. M., 2.5Balibar, F., 5.1Banaszak, L. J., 2.3Bancel, P. A., 4.6Bando, Y., 2.5Banerjee, K., 2.2Bannister, C., 2.5Bansal, M., 1.3Bantz, D., 1.3Barakat, R., 1.3, 2.1Bardhan, P., 4.2Barham, P. J., 4.5Barnea, Z., 1.2Barnes, W. H., 1.3Barois, P., 4.4Barrett, A. N., 1.3Barrington Leigh, J., 4.5Barry, C. D., 3.3Bartels, K., 1.3, 2.3, 2.4Baruchel, J., 5.3Barynin, V. V., 2.5Baryshevskii, V. G., 5.3Basett-Jones, D. P., 2.5Bash, P. A., 3.3Baskaran, S., 4.5Batterman, B. W., 5.1Baturic-Rubcic, J., 4.4Bauer, G., 4.2Bauspiess, W., 5.3Beaglehole, D., 4.4Bean, J. C., 2.5Becker, P. J., 1.2, 5.3Beckmann, E., 2.5Beddell, C., 3.3Bedzyk, M. J., 5.1Beevers, C. A., 1.3, 2.3

Beintema, J. J., 2.3Bellamy, H. D., 3.3Bellamy, K., 4.5Bellard, S., 3.3Bellman, R., 1.3Bellocq, A. M., 4.4Belova, N. E., 5.3Belyakov, V. A., 5.3Benattar, J. J., 4.4Bender, R., 2.5Bengtsson, U., 2.3Benguigui, L., 4.4Bennett, J. M., 1.3Bensimon, D., 4.4Bentley, J., 1.2Berberian, S. K., 1.3Berger, J. E., 2.5Bergman, G., 3.2Bergmann, K., 4.4Berliner, R., 5.3Berman, H. M., 1.4Bernstein, F. C., 3.3Bernstein, H. J., 5.3Bernstein, S., 2.1Berry, M. V., 5.2Bertaut, E. F., 1.3, 1.4, 2.2, 3.4Berthou, J., 2.3Bessiere, M., 4.2Bethe, H. A., 1.2, 2.5, 5.2Bethge, P. H., 3.3Beurskens, G., 2.2Beurskens, P. T., 2.2, 2.3Beyeler, H. U., 4.2Bhat, T. N., 2.3, 2.4Bhattacharya, R. N., 1.3Bieberbach, L., 1.3Bienenstock, A., 1.3, 1.4Bijvoet, J. M., 2.2, 2.3, 2.4Bilderback, D. H., 5.1Bilhorn, D. E., 2.5Billard, J., 4.4Billard, L., 4.6Bilz, H., 4.1Bing, D. H., 3.3Birgeneau, R. J., 4.4Biswas, A., 4.5Blackman, M., 2.5, 4.1, 5.2Blackwell, J., 4.5Blahut, R. E., 1.3Blech, I., 2.5, 4.6Bleistein, N., 1.3Bley, F., 4.2Blinc, R., 4.4Bloch, F., 1.1, 4.1Bloomer, A. C., 1.3, 2.3, 3.3Blow, D. M., 1.3, 2.2, 2.3, 2.4Bluhm, M. M., 2.3Blume, J., 5.2Blume, M., 5.3Blundell, D. J., 4.5Blundell, T. L., 2.3, 2.4Bochner, S., 1.3Bode, W., 1.3, 2.4Bodo, G., 2.3Boege, U., 2.3Boeuf, A., 5.3Bohm, H., 4.6Bohme, R., 2.2

Bokhoven, C., 2.4Bokun, R. Ch., 5.3Bommel, A. J. van, 2.3, 2.4Bondot, P., 1.3Bonnet, M., 5.3Bono, P. R., 3.3Bonse, U., 5.1, 5.3Boon, M., 1.5Booth, A. D., 1.3Borell, A., 2.3Borie, B., 4.2Born, M., 1.2, 1.3, 4.1, 5.1, 5.2Borrmann, G., 5.1Bosman, W. P., 2.2Bottger, H., 4.2Bouckaert, L. P., 1.5Boulay, D. J. du, 1.4, 2.2Bouman, J., 2.2Bourne, P. E., 1.4Boutin, H., 4.1Bowen, D. K., 5.1Boyd, D. B., 3.3Boyer, L., 4.1Boyle, L. L., 1.5Boysen, H., 4.2Bracewell, B. N., 2.5Bracewell, R. N., 1.3Bradler, J., 5.3Bradley, A. J., 2.4Bradley, C. J., 1.5, 4.2Bragg, L., 1.4Bragg, W. H., 1.3Bragg, W. L., 1.3, 2.3, 5.1Bramer, R., 4.2Brand, P., 4.4Brandenburg, N. P., 3.3Braslau, A., 4.4Braun, H., 3.3Braun, P. B., 2.3Bremermann, H., 1.3Bremmer, H., 1.3Brennan, S., 5.1Brice, M. D., 1.3, 3.3Bricogne, G., 1.3, 2.2, 2.3, 2.5, 3.3,

4.5Brigham, E. O., 1.3Brill, R., 1.3Brinkman, W. F., 4.4Brisbin, D., 4.4Brisse, F., 2.5, 4.5Britten, P. L., 1.3, 2.2Brock, J. D., 4.4Brockhouse, B. N., 4.1Brooks, B. R., 3.3Brooks, J. D., 4.4Brown, C. J., 4.5Brown, F., 2.3Brown, G. S., 4.4Brown, H., 1.3Brown, I. D., 1.4Brown, M. D., 3.3Brucolleri, R. E., 3.3Bruijn, N. G. de, 1.3Bruins, E. M., 4.5Bruins Slot, H. J., 2.2Bruinsma, R., 4.4Brummer, O., 5.1Brunger, A. T., 1.3, 4.5

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Bryan, R. K., 1.3, 4.5Bu, X., 4.6Bubeck, E., 4.2Buch, K. R., 3.2Budai, J., 4.4Buehner, M., 2.3Buerger, M. J., 1.1, 1.4, 2.2, 2.3Bujosa, A., 1.3Bullough, R. K., 2.3Bulow, R., 1.3Bunn, C. W., 4.5Bunshaft, A. J., 3.3Burandt, B., 4.6Burch, S. F., 1.3Burdina, V. I., 2.3Burkert, U., 3.3Burkov, S., 4.6Burla, M. C., 2.2Burnett, R. M., 1.3, 2.3Burnside, W., 1.3Burrus, C. S., 1.3Busetta, B., 2.2Busing, W. R., 1.3, 3.1, 3.4Bussler, P., 2.5Buxton, B., 2.5, 5.2Buxton, B. F., 2.5Buyers, W. J. L., 4.1Byerly, W. E., 1.3Byler, M. A., 4.5

Cael, J. J., 4.5Caglioti, G., 4.2Cahn, J. W., 2.5, 4.6Caille, A., 4.4Calabrese, G., 2.2Calvayrac, Y., 4.2Camalli, M., 2.2Cambillau, C., 3.3Campagnari, F., 4.5Campbell, G. A., 1.3Campbell Smith, P. J., 4.5Cannillo, E., 2.4Cantino, M., 4.5Caratheodory, C., 1.3Carlile, C. J., 4.4Carlisle, C. H., 2.3Carlson, J. M., 4.4Carpenter, R. W., 2.5Carroll, C. E., 4.5Carrozzini, B., 2.2Carslaw, H. S., 1.3Cartan, H., 1.3Carter, R. E., 3.3Cartwright, B. A., 3.3Cascarano, G., 2.2Case, A. L., 5.3Casher, A., 1.5Caspar, D. L. D., 2.3, 4.5Castellano, E. E., 2.2Cavicchi, E., 3.3Cenedese, P., 4.2Cesini, G., 5.3Ceska, T. A., 2.5Chacko, K. K., 2.4Chakravarthy, R., 5.3Challifour, J. L., 1.3Chalupa, B., 5.3Champeney, D. C., 1.3Champness, J. N., 1.3, 2.3, 3.3Chan, A. S., 2.5Chan, D. S. K., 1.3Chan, K. K., 4.4

Chandrasekaran, R., 4.5Chandrasekhar, S., 4.4Chang, S.-L., 5.1Chanzy, H., 2.5, 4.5Chaplot, S. L., 4.1Chapman, D., 4.4Chapuis, G., 4.6Charvolin, J., 4.4Chen, J. H., 4.4Cheng, T. Z., 2.5Chew, M., 4.5Chiang, L. Y., 4.4Chistyakov, R. R., 5.3Chivers, R. A., 4.5Choplin, F., 3.3Chou, C. T., 2.5Chow, M., 2.3Christensen, F., 4.4Chu, K. C., 4.4Chukhovskii, F. N., 5.3Church, G. M., 1.3, 2.4Churchill, R. V., 1.3Cimmino, A., 5.3Cisarova, I., 4.6Clapp, P. C., 4.3Clark, E. S., 4.5Clark, N. A., 4.4Clarke, P. J., 4.2Clarke, R., 4.4Clastre, J., 2.3Clementi, E., 1.2Clews, C. J. B., 1.3, 3.2Clothier, R., 5.3Coates, D., 4.4Cochran, W., 1.1, 1.2, 1.3, 1.4, 2.2,

2.3, 2.5, 3.2, 4.1, 4.5Cockayne, D. J. H., 2.5Cockrell, P. R., 3.3Cohen, J. B., 4.2Cohen, N. C., 3.3Cohen-Tannoudji, C., 1.2Cole, H., 5.1Colella, R., 5.3Colin, P., 3.3Collar, A. R., 5.2Coller, E., 2.2, 2.3Collett, J., 4.4Collins, D. M., 1.3, 2.2, 2.3, 2.4, 3.3Collongues, R., 4.2Colman, P. M., 1.3, 2.3Comarmond, M. B., 2.3Comes, R., 4.2Condon, E. V., 1.2Connolly, M. L., 3.3Conradi, E., 4.2Convert, P., 4.2Cooley, J. W., 1.3Cooper, M. J., 4.2Coppens, P., 1.2, 4.6, 5.3Cordes, A. W., 3.2Corey, R. B., 1.3, 2.3Corfield, P. W. R., 2.3Cork, J. M., 2.4Corliss, A. M., 4.2Corones, J., 5.2Coster, D., 2.4Cotton, F. A., 3.3Coulson, C. A., 1.2Coulter, C. L., 2.2Courville-Brenasin, J. de, 4.2Cowan, P. L., 5.1Cowan, S. W., 3.3

Cowley, J. M., 2.5, 4.2, 4.3, 4.5, 5.2Cox, E. G., 1.3Cox, J. M., 2.3, 2.4Coxeter, H. S. M., 1.3Cracknell, A. P., 1.5, 4.2Cramer, H., 1.3, 2.1, 2.5Cramer, R. III, 3.3Creek, R. C., 2.5Crick, F. H. C., 1.3, 2.3, 2.4, 2.5, 4.5Cromer, D. T., 2.3, 2.4Crooker, P. P., 4.4Crowfoot, D., 2.3Crowther, R. A., 1.3, 2.2, 2.3, 2.5,

4.5Crozier, P. A., 2.5Cruickshank, D. W. J., 1.2, 1.3, 2.4Cullen, D. L., 3.3Cullis, A. F., 2.3, 2.4Culver, J. N., 4.5Cummins, H. Z., 4.6Cummins, P. G., 3.4Curtis, C. W., 1.3Curtis, R. J., 4.4Cutfield, J. F., 2.2Czerwinski, E. W., 2.3

Dale, D., 2.4Dam, A. van, 3.3Dana, S. S., 4.4Daniel, H., 5.3Daniels, H. E., 1.3Darwin, C. G., 5.1Daubeny, R. de P., 4.5Davey, S. C., 4.4Davidov, D., 4.4Davidson, J. B., 5.3Davies, B. L., 1.5Davies, D. R., 1.3Davis, P. J., 3.4Dawson, B., 1.2, 2.5Day, D., 4.5Dayringer, H. E., 3.3De Facio, B., 5.2De Gennes, P. G., 4.4De Hoff, R., 4.4De Jeu, W. H., 4.4De Meulenaare, P., 4.3De Ridder, R., 4.3De Vries, H. L., 4.4Dea, I. C. M., 4.5Deans, S. R., 2.5Debaerdemaeker, T., 2.2DeBoissieu, M., 4.6Debye, B., 4.2Debye, P., 4.1Declercq, J.-P., 2.2Dederichs, P. H., 4.2Dehlinger, U., 4.6Deimel, P., 5.3Deisenhofer, J., 1.3, 2.4Delapalme, A., 4.2, 5.3Delaunay, B., 1.5Dellby, N., 4.3Deming, W. E., 3.2Dempsey, S., 3.3Demus, D., 4.4Denny, R., 4.5Denson, A. K., 3.3DeRosier, D. J., 2.5, 4.5Destrade, C., 4.4DeTitta, G. T., 2.2, 2.5, 4.5Deutsch, M., 4.4

Dewar, R. B. K., 2.2DeWette, F. W., 3.4Diamond, R., 1.3, 3.3, 4.5Dickerson, R. E., 1.3, 2.2, 2.3, 2.4Diele, S., 4.4Dietrich, H., 1.3Dieudonne, J., 1.3Dijkstra, B. W., 3.3Dimon, P., 4.4Dintzis, H. M., 2.3Dirac, P. A. M., 1.3Dirl, R., 1.5DiSalvo, F. J., 4.4Ditchfield, R., 1.2Diu, B., 1.2Djurek, D., 4.4Dobrott, R. D., 2.3Dodson, E., 2.3, 2.4Dodson, E. J., 1.3, 2.2, 2.3, 3.3Dodson, G. G., 2.2, 2.3, 3.3Doesburg, H. M., 2.2Doi, K., 5.3Dokashenko, V. P., 5.3Dolata, D. P., 3.3Dolling, C., 4.1Dolling, G., 4.2Domany, E., 4.4Dong, W., 2.5Donohue, J., 1.3, 2.3Donovan, B., 4.1Dorner, B., 4.2Dorner, C., 4.2Dorset, D. L., 2.5, 4.5Doubleday, A., 3.3Doucet, J., 4.4Douglas, A. S., 2.2Downing, K. H., 2.5Dowty, E., 1.4Doyle, P. A., 4.3, 4.5Drager, J., 4.6Drenth, J., 4.5Drits, V. A., 2.5Duane, W., 1.3Dubernat, J., 4.2Dubois, J. C., 4.4Duce, D. A., 3.3Duke, G. M., 2.3Dumrongrattana, S., 4.4Duncan, W. J., 5.2Dunitz, J. D., 1.2Dunmur, D. A., 3.4Durrant, J. L. A., 4.4Dvoryankin, V. F., 2.5D’yakon, I. A., 2.5Dym, H., 1.3Dyott, T. M., 3.3

Eades, J. A., 2.5Eaker, D., 2.3Ebel, J. P., 2.3Edmonds, J. W., 2.2, 2.5, 4.5Edwards, O. S., 4.2Egert, E., 2.2, 2.3Eichhorn, F., 5.3Eiland, P. F., 1.3Einstein, A., 4.1Einstein, J. E., 2.4Eisenberg, D., 2.2, 2.3, 2.4Eklundh, J. O., 1.3Elder, M., 4.5Eliopoulos, E. E., 3.3Eller, G. von, 2.2

572

AUTHOR INDEX

Page 3: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Elyutin, N. O., 5.3Emery, V. J., 4.2Enderle, G., 3.3Endoh, H., 2.5Endres, H., 4.2Engel, P., 1.3Englander, M., 5.3Entin, I. R., 5.3Epstein, J., 4.2Erdelyi, A., 1.3Erickson, H. P., 2.5Erickson, J. W., 2.3Eschenbacher, P. W., 1.3Estermann, M., 4.6Etheridge, J., 5.2Etherington, G., 4.4Evans, A. C., 3.3Evans, N. S., 2.5Evans, P., 2.4Evans, P. R., 3.3Evans-Lutterodt, K. W., 4.4Evjen, H. M., 3.4Ewald, P. P., 1.1, 1.3, 1.4, 3.4, 5.1Exelby, D. R., 2.5

Faber, T. E., 4.4Faetti, S., 4.4Faggiani, R., 2.1Fak, B., 5.3Fan, C. P., 4.4Fan, H.-F., 2.2, 2.5Farach, H. A., 3.3Farber, A. S., 4.4Farkas, D. R., 1.3Farrants, G., 1.4, 2.5Farrants, G. W., 3.3Favin, D. L., 1.3Fayard, M., 4.2Fedotov, A. F., 2.5Fehlhammer, H., 2.3Feig, E., 1.3Feil, D., 1.2Feiner, S. K., 3.3Feldkamp, L. A., 4.1Feldmann, R. J., 3.3Feltynowski, A., 2.5Fender, B. E. F., 4.2Ferraris, G., 2.5Ferrel, R. A., 4.3Ferrin, T. E., 3.3Fewster, P. F., 5.1Feynman, R., 5.2Fields, P. M., 4.3Filman, D. J., 2.3Finch, J. T., 2.5Fingerland, A., 5.1Finkelstein, K. D., 5.3Finkenstadt, V. L., 4.5Fischer, J., 2.3Fischer, K., 1.2Fischer, W., 1.4Fisher, J., 2.2Fisher, P. M. J., 4.3Fiske, S. J., 2.2Fitzgerald, P. M. D., 1.4, 2.3Flack, H. D., 4.2Flautt, T. J., 4.4Fleming, R. M., 4.4Fletterick, R. J., 2.3, 3.3Flook, R. J., 2.4Fock, R., 5.2Foldy, L. L., 2.5

Foley, J. D., 3.3Folkhard, W., 1.3Fontaine, D. de, 4.2Fontell, K., 4.4Fontes, E., 4.4Ford, G. C., 2.3Ford, L. O., 3.3Forgany, S. K. E., 2.5Fornberg, A., 1.3Forst, R., 4.2Forsyth, J. B., 1.3, 4.2Forsyth, V. T., 4.5Fortier, S., 2.2Fortuin, C. M., 3.4Foster, R. M., 1.3Foucher, P., 4.4Fouret, P., 4.2Fouret, R., 4.2Fout, G. S., 2.3Fowler, R. H., 1.3Fowweather, F., 1.3Fox, G., 2.3Frank, F. C., 4.4Frank, J., 2.5Frankenberger, E. A., 2.3Franklin, R. E., 4.5Franulovic, K., 4.4Franx, M., 2.1Fraser, H. L., 2.5Fraser, R. D. B., 4.5Frazer, R. A., 5.2Freeman, A. J., 1.2, 4.3Freeman, H. C., 2.4Freer, A. A., 2.2Freer, S. T., 1.3, 2.4Freiser, M. J., 4.4French, A. D., 4.5French, S., 2.1, 2.2, 2.4Frey, F., 4.2Frey, S., 2.5Fridborg, K., 2.3Fridrichsons, J., 2.3Friedel, G., 1.3, 4.4Friedlander, F. G., 1.3Friedlander, P. H., 1.3Friedman, A., 1.3Frobenius, G., 1.3Frost, J. C., 4.4Frost-Jensen, A., 4.6Fry, E., 2.3Fryer, J. R., 2.5, 4.5Fuess, H., 5.3Fujii, Y., 4.1Fujimoto, F., 2.5, 4.3, 5.2Fujinaga, M., 2.3Fujiwara, K., 2.5, 5.2Fujiyoshi, Y., 2.5Fukuhara, A., 2.5, 5.2Fukuyama, K., 2.3Fuller, W., 4.5Furie, B., 3.3Furie, B. C., 3.3Furusaka, M., 4.2

Gabor, D., 2.5Gahler, R., 5.3Galerne, Y., 4.4Gallagher, T. M., 2.3Gallo, L., 3.3Gallop, J. R., 3.3Gallwitz, U., 4.5Gane, P. A. C., 4.4

Gannon, M. G. J., 4.4Garcia-Golding, F., 4.4Garcia-Granda, S., 2.2Gardner, K. H., 4.5Garland, C. W., 4.4Garland, Z. G., 4.4Garrido, J., 2.3Gasparoux, H., 4.4Gassmann, J., 1.3, 2.3, 2.4, 2.5Gatti, M., 4.4Gaughan, J. P., 4.4Gautier, F., 4.2Gavrilov, V. N., 5.3Gay, R., 2.3Gaykema, W. P. J., 2.3Gebhard, W., 4.5Geddes, A. J., 3.3Gehlen, P., 4.2Gehring, K., 2.5Geil, P. H., 4.5Geisel, T., 4.2Gelder, R. de, 2.2Gel’fand, I. M., 1.3Geller, M., 3.3Gentleman, W. M., 1.3Georgopoulos, P., 4.2Gerhard, O. E., 2.1Gerlach, P., 4.2Germain, G., 2.2, 2.5Germian, C., 4.4Gerold, V., 4.2Giacovazzo, C., 2.1, 2.2Giarrusso, F. F., 3.3Gibbs, J. W., 2.3Giege, R., 2.3Gilbert, P. F. C., 2.5Gill, P. E., 3.3Gillan, B. E., 4.2Gilli, G., 2.4Gilliland, G. L., 3.3Gillis, J., 1.3, 2.2Gilmore, C. J., 2.2, 2.5, 4.5Gilmore, R., 5.2Gingrich, N. S., 1.3, 4.2Girling, R. L., 3.3Gjønnes, J., 2.5, 4.3, 5.2Gjønnes, K., 2.5Glaeser, R. M., 2.5Glasser, M. L., 3.4Glatigny, A., 3.3Glauber, R., 2.5Glazer, A. M., 4.2Gluck, M., 1.5Glucksman, M. J., 4.5Go, N., 3.3Godreche, C., 4.6Goedkoop, J. A., 1.3, 2.2Goldman, A. I., 4.6Goldstine, H. H., 1.3Golovchenko, J. A., 5.1Goncharov, A. B., 2.5Gonzalez, A., 4.5Good, I. J., 1.3Goodby, J. J., 4.4Goodby, J. W., 4.4Goodman, P., 2.5, 5.2Gordon, R., 2.5Gosling, R. G., 4.5Gossling, T. H., 3.3Gould, R. O., 2.2Gouyet, J. F., 4.6Graaf, H. de, 4.5

Graaff, R. A. G. de, 2.2Grabcev, B., 4.2Graeff, W., 5.3Gragg, J. E., 4.2Gramlich, V., 2.2Gransbergen, E. F., 4.4Grant, D. F., 2.2Gratias, D., 2.5, 4.6, 5.2Grau, U. M., 2.3Gray, G. W., 4.4Green, D. W., 2.3, 2.4Green, E. A., 2.2, 2.4Greenall, R. J., 4.5Greenhalgh, D. M. S., 1.3Greer, J., 3.3Grems, M. D., 1.3Grenander, U., 1.3Griffith, J. P., 2.3Grimm, H., 1.3, 4.2Grinstein, G., 4.4Gross, L., 1.3Grosse-Kunstleve, R. W., 1.4Grubb, D. T., 4.5Grzinic, G., 2.5Gu, Y.-X., 2.2Guagliardi, A., 2.2Gubbens, A. J., 4.3Guessoum, A., 1.3Guigay, J. P., 5.3Guillon, D., 4.4Guinier, A., 4.2Gull, S. F., 1.3Gunning, J., 2.5Gunther, L., 4.4Gur, Y., 1.5Gurskaya, G. V., 2.5Guru Row, T. N., 1.2Gutierrez, G. A., 4.5Guyot-Sionnest, P., 4.4

Hadamard, J., 1.3Haefner, K., 4.2Haibach, T., 4.6Hall, I. H., 4.5Hall, M., 1.3Hall, S. R., 1.4, 2.2Halla, F., 4.2Halperin, B. I., 4.4Hamilton, W. A., 5.3Hamilton, W. C., 2.3, 2.4, 3.1, 3.2,

4.5Hancock, H., 2.2Handelsman, R. A., 1.3Hansen, N. K., 1.2Hao, Q., 2.2Harada, J., 4.2Harada, Y., 2.3, 2.5, 4.3Harburn, G., 4.2Harding, M. M., 2.2, 2.3Hardman, K. D., 3.3Hardouin, F., 4.4Hardy, G. H., 1.3Harford, J., 4.5Harker, D., 1.3, 2.1, 2.2, 2.3, 2.4Harrington, M., 2.3Harris, D. B., 1.3Harris, M. R., 3.3Harrison, S. C., 1.3, 2.3Harrison, W. A., 4.1Hart, M., 5.1, 5.3Hart, R. G., 2.4Hartman, P., 1.3

573

AUTHOR INDEX

Page 4: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Hartree, D. R., 1.2Hartsuck, J. A., 2.3Hasegawa, K., 4.5Haseltine, J. H., 4.4Hashimoto, H., 2.5Hashimoto, S., 4.2, 4.3Hass, B. S., 3.3Hastings, C. Jr, 3.4Hastings, J. B., 5.3Hastings, J. M., 4.2Hata, Y., 2.4Hatch, D. M., 1.5Haubold, H. G., 4.2Hauptman, H., 1.3, 2.1, 2.2, 2.3, 2.4,

2.5, 4.5Hausdorff, F., 4.6Havelka, W., 2.5Havighurst, R. J., 1.3Hayakawa, M., 4.2Hazen, E. E., 3.3Heap, B. R., 3.3Hearmon, R. F. S., 4.1Hearn, A. C., 1.4Hecht, H. J., 2.3Hecht, H.-J., 2.2Hehre, W. J., 1.2Heideman, M. T., 1.3Heil, P. D., 4.5Heinermann, J. J. L., 2.2Heiney, P. A., 4.4, 4.6Helfrich, W., 4.4Helliwell, J. R., 2.2, 2.4Hellner, E., 4.2Helms, H. D., 1.3Hende, J. van den, 1.3Henderson, R., 2.3, 2.5Hendricks, S., 4.2, 4.5Hendrickson, W. A., 1.3, 2.2, 2.3,

2.4Hendrikx, Y., 4.4Hennion, B., 4.2Herglotz, G., 1.3Herman, G. T., 2.5Hermann, C., 1.3, 4.6Hermans, J., 3.3Herriot, J. R., 2.4Herrmann, K. H., 2.5Hetherington, C. J. D., 2.5Hewitt, J., 2.5Heymann, J. A. W., 2.5Higgs, H., 3.3High, D. F., 2.3, 2.4Hildebrandt, G., 5.1Hills, G. J., 2.5Hirsch, P. B., 2.5, 4.5, 5.1, 5.2Hirschman, I. I. Jr, 1.3Hirshfeld, F. L., 1.2, 2.3Hirt, A., 2.5Hirth, J. P., 4.4Hitchcock, P. B., 4.4Hjerten, S., 2.3Ho, M.-H., 2.5Ho, M.-S., 2.5Hodgkin, D. C., 2.2, 2.3, 2.4Hodgson, K. O., 2.4Hodgson, M. L., 1.3Hofmann, D., 4.5Hogle, J., 2.3, 3.3Hohlwein, D., 4.2Høier, R., 2.5, 4.3, 5.2Hol, W. G. J., 2.3, 3.3Holbrook, S. R., 1.3, 2.4

Holmes, K. C., 4.5Honegger, A., 3.3Honjo, G., 4.3Hopfinger, A. J., 3.3, 4.5Hopgood, F. R. A., 3.3Hoppe, W., 1.3, 2.2, 2.3, 2.4,

2.5Horalik, L., 5.3Horjales, E., 3.3Hormander, L., 1.3Horn, P. M., 4.4, 4.6Horne, M. A., 5.3Hornreich, R. M., 4.4Hornstra, J., 2.3Horstmann, M., 2.5Hosemann, R., 2.3, 4.2, 4.5Hoser, A., 4.2Hoshino, S., 5.3Hosoya, S., 5.3Hosur, M. V., 2.3Houston, T. E., 3.3Hovmoller, S., 1.4, 2.5Howells, E. R., 2.1Howells, R. G., 2.2Howie, A., 2.5, 4.3, 4.5, 5.2Hrdlicka, Z., 5.3Hsiung, H., 4.4Hu, H., 4.5Hu, H. H., 2.5Huang, C., 3.3Huang, C. C., 4.4Huang, K., 1.3, 4.1Hubbard, R. E., 3.3Huber, R., 1.3, 2.3, 2.4Hudson, L., 4.5Hudson, P. J., 3.3Hughes, D. E., 1.3Hughes, E. W., 1.3, 2.2, 2.3Hughes, J. F., 3.3Hughes, J. J., 2.3, 2.4Hull, S. E., 2.2Huller, A., 4.2Hummelink, T., 3.3Hummelink-Peters, B. G., 3.3Hummer, K., 5.1Humphreys, C. J., 2.5, 4.3, 5.2Hunsmann, N., 2.5Huntingdon, H. B., 4.1Hurley, A. C., 1.2, 2.5, 5.2Huse, D. A., 4.4

Iannelli, P., 4.5Ibers, J. A., 2.4, 4.2Iijima, S., 4.3Iizumi, M., 4.2Imamov, R. M., 2.5Immirzi, A., 1.3Imry, Y., 4.4Indenbom, V. L., 5.3Ingersent, K., 4.4Ingram, V. M., 2.3, 2.4Iolin, E. M., 5.3Irwin, M. J., 2.2Isaacs, N. W., 1.3, 2.2, 2.4, 3.3Ishihara, K. N., 4.6Ishii, T., 4.2Ishikawa, I., 5.3Ishikawa, Y., 4.2Ishizuka, K., 2.5Isoda, S., 2.5, 4.5Israel, R., 2.2Ito, T., 3.2

Ivanova, M. I., 4.5Iwata, H., 4.2

Jach, T., 5.1Jack, A., 1.3, 2.4Jacobson, R. A., 2.3Jacques, J., 4.4Jaeger, J. C., 1.3Jagodzinski, H., 4.2James, R. W., 1.2, 1.3, 2.3, 4.2, 5.1Jan, J.-P., 1.5Janner, A., 1.3, 2.5, 4.2, 4.6Janot, Chr., 4.6Jansen, L., 1.5Janssen, T., 1.3, 1.5, 2.5, 4.2, 4.6Jap, B. K., 2.5Jaric, M. V., 4.6Jarvis, L., 3.3Jaynes, E. T., 1.3, 2.2Jefferey, J. W., 4.2Jeffery, B. A., 2.3Jeffrey, G. A., 1.3Jensen, L. H., 1.3, 2.3, 2.4Jih, J. H., 2.3Johannisen, H., 2.3Johnson, A. W. S., 2.5, 5.2Johnson, C. K., 1.2, 3.1, 3.3Johnson, D. H., 1.3Johnson, D. L., 4.4Johnson, H. W., 1.3Johnson, J. E., 2.3, 3.3Johnson, L. N., 2.3, 2.4, 3.3Johnson, R. W., 1.3Jolles, P., 2.3Jones, B., 4.4Jones, P. M., 2.5Jones, R., 4.2, 4.5Jones, R. C., 4.2Jones, T. A., 2.3, 3.3Josefsson, T. W., 4.3Joyez, G., 4.2Jurgensen, H., 1.3Just, W., 4.2

Kabsch, W., 3.3, 4.5Kac, M., 1.3Kadeckova, S., 5.3Kaenel, R. A., 1.3Kagan, Yu., 5.3Kainuma, Y., 4.3, 5.2Kaiser, H., 5.3Kakinoki, J., 4.2Kalantar, A. H., 3.2Kaldor, U., 2.1Kalning, M., 4.6Kam, Z., 2.5Kamada, K., 5.3Kambe, K., 2.5, 5.2Kamer, G., 2.3Kamper, J., 2.3Kannan, K. K., 2.3Kansy, K., 3.3Kaplan, D. R., 5.1Kaplan, M., 4.4Kara, M., 1.2Karbach, A., 4.5Karle, I. L., 2.2Karle, J., 1.3, 2.1, 2.2, 2.3, 2.4, 2.5Karman, T. von, 4.1Karplus, M., 1.3, 3.3Karrass, A., 1.3Kartha, G., 2.3, 2.4

Kasper, J. S., 1.3, 2.2Kasting, G. B., 4.4Katagawa, T., 5.1Katayama, K., 4.5Kato, K., 4.6Kato, N., 5.1, 5.3Katsube, Y., 2.4Katz, L., 3.3Katznelson, Y., 1.3Kawaguchi, A., 4.5Kearsley, S. K., 3.3Kek, S., 4.6Keller, A., 4.5Keller, J., 4.2Kelley, B., 4.4Kelly, B. A., 4.4Kelton, K. F., 4.6Kendall, M., 1.2, 2.1Kendrew, J. C., 1.3, 2.3, 2.4Kennard, O., 3.1, 3.3Kennedy, J. M., 1.5Ketelaar, J. A. A., 2.3Khinchin, A. I., 1.3Kiefer, J. E., 1.3, 2.1Kikuta, S., 5.1, 5.3Kim, S.-H., 1.3, 2.4Kirichuk, V. S., 2.5Kirkland, E. J., 2.5Kiselev, N. A., 2.5Kitagaku, M., 4.3Kitagawa, Y., 2.4Kitaigorodskii, A. J., 4.1Kitaigorodsky, A. I., 4.2Kitamura, N., 4.3Kittel, C., 4.4Kitz, N., 1.3Kjeldgaard, M., 3.3Klapperstuck, M., 4.4Klar, B., 5.3Klechkovskaya, V. V., 2.5Klein, A. G., 5.3Kleinstuck, K., 5.3Kleman, M., 4.6Klimkovich, S., 1.4Klug, A., 1.3, 2.2, 2.3, 2.5, 3.3, 4.5Klug, H. P., 4.2Kluyver, J. C., 1.3Knoell, R. V., 2.5Knol, K. S., 2.4Knowles, J. W., 5.3Kobayashi, S., 4.4Kobayashi, T., 2.5Koch, E., 1.1, 1.4Koch, M. H. J., 2.2Kodera, S., 4.3Koellner, M., 5.3Koetzle, T. F., 2.4, 3.3Kogiso, M., 2.5, 5.2Kohn, V. G., 5.1Kohra, K., 5.1, 5.3Kolar, H., 2.5Kolba, D. P., 1.3Komada, T., 2.5Komura, Y., 4.2Konnert, J. H., 1.3, 2.4Kopka, M. L., 2.3Kopp, S., 2.5, 4.5Korekawa, M., 4.2, 4.6Korn, D. G., 1.3Korpiun, P., 5.3Kortan, A. R., 4.4Kossel, W., 2.5

574

AUTHOR INDEX

Page 5: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Kosterlitz, J. M., 4.4Kosykh, V. P., 2.5Kovacs, A. J., 4.5Kovalchuk, M. V., 5.1Kovalev, O. V., 1.5Krabbendam, H., 2.2Krahl, D., 2.5, 4.3Kraut, J., 1.3, 2.3, 2.4Kress, W., 4.1Kreuger, R. J., 5.2Krishna, P., 4.2Krivanek, O. L., 4.3Krivoglaz, M. A., 4.2, 4.3Kroon, J., 2.2Kruse, F. H., 1.3Kuhlbrandt, W., 2.5Kuhne, T., 2.5Kuhs, W. F., 1.2Kukla, D., 2.4Kulda, J., 5.3Kulidzhanov, F. G., 5.3Kuligin, A. K., 2.5Kulka, D., 1.3Kuntz, I. D., 3.3Kunz, C., 4.2Kuriyan, J., 1.3Kurki-Suonio, K., 1.2Kutznetsov, P. I., 1.2Kuvdaldin, B. V., 5.3Kuwabara, S., 2.5Kvardakov, V. V., 5.3

Lacour, T. F. M., 1.3Ladbrooke, B. D., 4.4Lagomarsino, S., 5.3Lajzerowicz, J., 2.2Lajzerowicz, J., 4.4Lakshminarayanan, A. V., 2.5Laloe, F., 1.2Lambert, D., 5.3Lambert, M., 4.4Lambiotte, J. J. Jr, 1.3Lancon, F., 4.6Lanczos, C., 1.3Landau, H. J., 1.3Landau, L. D., 4.4Lando, J. B., 4.5Lang, A. R., 5.1Lang, S., 1.3Lang, W. W., 1.3Langer, R., 2.5Langridge, R., 3.3, 4.5Langs, D. A., 2.2, 2.5, 4.5Larine, M., 1.4Larmor, J., 1.3Lattman, E. E., 2.3, 2.4Lau, H. Y., 4.2Laue, M. von, 1.1, 1.3, 2.5, 5.1Laval, J., 4.1Laves, R., 4.2Lavoine, J., 1.3Lawson, K. D., 4.4Leadbetter, A. J., 4.4Leapman, R. D., 4.3Lechner, R. E., 4.2Lederer, F., 3.3Ledermann, W., 1.3, 4.1Lee, E. J., 4.5Lee, S. D., 4.4Leenhouts, J. I., 2.3Lefebvre, J., 4.1, 4.2Lefebvre, S., 4.2

Lefeld-Sosnowska, M., 5.1Legg, M. J., 1.3Lehmann, M., 5.3Lehmann, M. S., 1.3, 2.2Lehmpfuhl, G., 4.3Lele, S., 4.2Lemoine, G., 3.3Lentz, P. J. Jr, 2.3Lepault, J., 2.5Lerner, F. Ya., 2.5Lesk, A. M., 3.3Leslie, A. G. W., 1.3, 2.3, 3.3Lessinger, L., 2.2Leung, P., 1.2Levanyuk, A. P., 4.4Levelut, A. M., 4.4Levens, S. A., 1.3Levine, D., 4.6Levinthal, C., 3.3Levitov, L. S., 4.6Levitt, M., 1.3, 2.4, 3.3Levy, H. A., 1.2, 1.3, 3.1Li, D. X., 2.5Li, F. H., 2.5Li, J. Q., 2.5Liang, K. S., 4.4Liebert, L., 4.4Liebert, L. E., 4.4Liebman, G., 2.5Lien, S. C., 4.4Lieth, C. W. van der, 3.3Lievert, L., 4.4Lifchitz, A., 1.3, 2.3Lifshitz, E. M., 4.4Lifson, S., 3.3Lighthill, M. J., 1.3Lijk, L. J., 3.3Liljas, L., 2.3, 3.3Liljefors, T., 3.3Linares-Galvez, J., 5.3Lindegaard, A., 4.4Lindsey, J., 2.3Link, V., 4.4Linnik, I. Ju., 1.3Lipanov, A. A., 4.5Lipkowitz, K. B., 3.3Lippert, B., 2.1Lipscomb, W. N., 2.2, 2.3Lipson, H., 1.1, 1.2, 1.3, 1.4, 2.1,

2.3, 4.2, 4.5Litster, J. D., 4.4Litvin, D. B., 2.3Liu, J., 4.5Liu, Y.-W., 2.5Livanova, N. B., 2.5Livesey, A. K., 1.3Loane, R. F., 4.3Lobachev, A. N., 2.5Lobanova, G. M., 2.5Lobert, S., 4.5Lock, C. J. L., 2.1Lockhart, T. E., 4.4Lomer, T. R., 2.1Lomont, J. S., 1.5Lonsdale, K., 1.3Lontovitch, M., 5.2Looijenga-Vos, A., 4.6Lorenz, M., 4.5Lotz, B., 2.5, 4.5Love, W., 1.3Love, W. E., 2.2, 2.3Love, W. F., 1.5

Lovell, F. M., 1.3Lovesey, S. W., 4.2Lovgren, S., 2.3Lowde, R. D., 5.3Lu, C., 1.3Luban, M., 4.4Lubensky, T. C., 4.4Lucas, B. W., 4.2Luck, J. M., 4.6Ludewig, J., 5.1Luenberger, D. G., 3.3Luic, M., 2.2Lunin, V. Yu., 1.3Luo, M., 2.3Lurie, N. A., 4.1Lushington, K. J., 4.4Luther, P., 4.5Luty, T., 4.1Luzzati, V., 2.3, 4.4Lybanon, M., 3.2Lynch, D. F., 2.5, 5.2

Ma, S. K., 4.4McCall, M. J., 3.3McClellan, J. H., 1.3McCourt, M. P., 2.5, 4.5McDonald, W. S., 2.4McEwen, B., 2.5MacGillavry, C. H., 1.3, 4.5Machin, P. A., 3.3McIntyre, G. J., 1.2Mackay, A. L., 2.2, 3.3MacKay, M., 2.3McKean, H. P., 1.3McLachlan, A. D., 3.3McLachlan, D., 2.3, 2.5MacLane, S., 1.3McLean, J. D., 2.5McMahon, B., 1.4McMillan, W. L., 4.4McMullan, R. K., 3.3MacNicol, D. D., 2.5McPherson, A., 2.4McQueen, J. E., 3.3MacRae, T. P., 4.5McWhan, D. B., 4.4Mada, H., 4.4Madelung, E., 3.4Madhav Rao, L., 5.3Magdoff, B. S., 2.3Magnus, W., 1.3Mahendrasingam, A., 4.5Maher, D. M., 2.5Maier, W., 4.4Main, P., 1.3, 2.2, 2.3, 2.5Makowski, L., 4.5Malgrange, C., 5.1, 5.3Malik, K. M. A., 4.4Maling, G. C., 1.3Mallikarjunan, M., 3.3Malthete, J., 4.4Maly, K., 4.6Mandelkern, L., 4.5Mandelkow, E., 4.5Mani, N. V., 2.4Manley, R. St. J., 2.5Mannami, M., 2.5Mansfield, J., 2.5Marchington, B., 1.3Mardix, S., 4.2Marel, R. P. van der, 2.1Marigo, A., 4.2

Marinder, B. O., 2.5Mark, H., 2.4Markham, R., 2.5Marks, L. D., 4.3Marsh, R. E., 3.2Marson, F., 4.4Martin, P. C., 4.4Martinez-Miranda, L. J., 4.4Martorana, A., 4.2Marumo, F., 1.2Marvin, D. A., 1.3, 4.5Marynissen, H., 4.4Masaki, N., 5.3Maslen, V. W., 1.2Maslen, W. V., 4.3Mason, R., 4.4Mason, S. A., 4.5Massidda, V., 3.4Mastryukov, V. S., 2.5Materlik, G., 1.2, 5.1Mathews, F. S., 3.3Mathiesen, S., 4.4Mathieson, A. McL., 2.3Matsubara, E., 4.2Matsuda, T., 2.5Matthews, B. W., 1.3, 2.3, 2.4Mauguen, Y., 2.2, 2.4Mauritz, K. A., 4.5Max, N. L., 3.3Mayer, S. W., 1.3Mayers, D. F., 4.3Mazeau, K., 4.5Mazid, M. A., 4.4Mazkedian, S., 5.3Mazure-Espejo, C., 5.3Mazzarella, L., 2.3, 2.4Meiboom, S., 4.4Meichle, M., 4.4Melone, S., 5.3Mendiratta, S. K., 5.3Menke, H., 4.2Menzer, G., 2.3Mermin, N. D., 1.1, 2.5, 4.6Mersereau, R. M., 1.3, 2.5Merwe, J. H. van der, 4.4Messiah, A., 5.2Meyer, C. E., 4.3Meyer, E. F., 3.3Meyer, G., 2.5Meyer, R. B., 4.4Michalec, R., 5.3Midgley, P. A., 2.5Mierzejewski, A., 4.1Mighell, A. D., 2.3Mikula, P., 5.3Millane, R. P., 4.5Miller, A., 4.5Miller, D. P., 4.5Miller, G. H., 4.5Miller, J. R., 3.3Miller, P., 2.5Miller, R., 2.2, 4.5Miller, S. C., 1.5Mimori-Kiyosue, Y., 4.5Minakawa, N., 5.3Minor, I., 2.3Mitra, A. K., 4.5Mitsui, T., 4.5Miyake, S., 2.5Miyano, K., 4.4Miyazaki, M., 2.5Mo, Y. D., 2.5

575

AUTHOR INDEX

Page 6: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Moliere, G., 4.3Moliterni, A. G. G., 2.2Mollenstedt, G., 2.5Moncrief, J. W., 2.2, 2.3Moncton, D. E., 4.4Montroll, E. W., 1.3Moodie, A. F., 2.5, 5.2Moon, P. B., 2.4Mooney, P. E., 4.3Moore, D. H., 1.3Moore, P. B., 2.5Moras, D., 2.3More, M., 4.2Morffew, A. J., 3.3Mori, M., 4.3Moriguchi, S., 2.5Morimoto, C. N., 3.3Morinaga, M., 4.2Moring, I., 2.3Morris, R. L., 1.3Moser, W. O. J., 1.3Mosley, A., 4.4Moss, B., 2.5Moss, G., 1.2Moss, S. C., 4.2, 4.3Mosser, A. G., 2.3Motherwell, W. D. S., 3.3Motohashi, H., 5.3Moussa, F., 4.4Muirhead, H., 2.3, 2.4Mukamel, D., 4.4Mukherjee, A. K., 2.2Muller, H., 4.2Muller, U., 4.2Munn, R. W., 3.4Murakami, W. T., 2.3Murdock, W. L., 1.3Murray, W., 3.3Murthy, M. R. N., 2.3Muus, I. T., 4.5Myller-Lebedeff, W., 2.1

Nagabhushana, C., 4.4Nagasawa, T., 2.5, 5.2Naiki, T., 2.5Nakatsu, K., 2.3Namba, K., 4.5Nambudripad, R., 4.5Narayan, R., 1.3, 2.2, 2.4Nathans, R., 4.2Natterer, F., 1.3Navaza, J., 1.3, 2.2Nave, C., 1.3, 4.5Navia, M. A., 2.4Nawab, H., 1.3Naya, S., 2.2, 4.5Neisser, J. Z., 4.5Nelson, D. E., 1.3Nelson, D. R., 4.4Nelson, H. M., 1.5Neto, A. M. F., 4.4Neubert, M. E., 4.4Neubuser, J., 1.3Newham, R. J., 3.4Newman, W. M., 3.3Niall, H. D., 3.3Nicholson, P. B., 4.5Nicholson, R. B., 2.5, 5.2Nigam, G. D., 2.1Niggli, A., 1.3Niimura, N., 4.2Nijboer, B. R. A., 3.4

Nitta, I., 2.2Nityananda, R., 1.3, 2.2Nixon, P. E., 2.3Nonoyama, M., 4.3Nordman, C. E., 1.3, 2.2, 2.3North, A. C. T., 2.3, 2.4, 3.3Norton, D. A., 2.2Nunzi, A., 2.2Nussbaumer, H. J., 1.3

Oberg, B., 2.3Oberhettinger, F., 1.3Oberteuffer, J. A., 5.3Oberti, R., 2.4Ocko, B. M., 4.4Oda, T., 2.2O’Donnell, T. J., 3.3Oesterhelt, D., 2.5Ogata, C. M., 2.2Ogawa, T., 2.5Ohara, M., 4.5Ohshima, K., 4.2, 4.3Ohtsuki, Y. H., 4.3, 5.1Oikawa, T., 4.3Okaya, J., 2.2Okaya, Y., 2.2, 2.3, 2.4O’Keefe, M. A., 2.5Olafson, B. D., 3.3Olmer, P., 4.1Olsen, A., 2.5Olsen, K. W., 2.3Olson, A. J., 1.3, 2.3, 3.3Olthof-Hazekamp, R., 1.4, 2.2Omura, T., 4.3Ono, A., 2.5Onsager, L., 1.3, 4.4Opat, G. I., 5.3Opdenbosch, N. van, 3.3Oppenheim, A. V., 2.5Ord, K., 2.1Orlov, S. S., 2.5Orlova, E. V., 2.5Ørmen, P.-J., 1.2Ott, H., 2.2Ottensmeyer, F. P., 2.5Overhauser, A. W., 4.2, 5.3

Paciorek, W. A., 4.6Paley, R. E. A. C., 1.3Palleschi, V., 4.4Palmenberg, A. C., 2.3Palmer, R. A., 2.3, 2.4Palmer, S. B., 5.3Pan, M., 2.5Pan, Q., 2.5Pandey, D., 4.2Paoletti, A., 4.2Paradossi, G., 4.5Park, H., 4.5Parks, T. W., 1.3Parmon, V. S., 2.5Parodi, O., 4.4Parthasarathy, R., 2.3, 2.4Parthasarathy, S., 2.1, 2.2, 2.4Parthe, E., 4.3Pashley, D. W., 2.5, 4.5, 5.2Patel, J. R., 5.1Pattabiraman, N., 3.3Pattanayek, R., 4.5Patterson, A. L., 1.1, 1.3, 2.3, 2.4,

4.2Patterson, C., 5.3

Paturle, A., 1.2Patzold, H., 4.3Pauling, L., 1.3, 2.3Pavlovitch, A., 4.6Pawley, G. S., 4.1Pearl, L. H., 3.3Pearson, K., 1.3Pease, M. C., 1.3Peerdeman, A. F., 2.2, 2.3, 2.4Peierls, R. E., 4.4Peisl, J., 4.2Penning, P., 5.1Penrose, R., 4.6Penzkofer, B., 4.2Pepinsky, R., 1.3, 2.2, 2.3, 2.4Perez, S., 2.5, 4.5Perham, R. N., 4.5Perrier de la Bathie, R., 5.3Pershan, P. S., 4.4Perutz, M. F., 2.3, 2.4Petef, G., 2.3Peters, C., 1.3Petrascheck, D., 5.3Petricek, V., 4.6Petroff, J. F., 5.3Petrov, V. V., 1.3Petrzılka, V., 5.3Petsko, G. A., 1.3, 3.3Pezerat, H., 4.2Pfaff, G., 3.3Phillips, D. C., 2.1, 2.3, 2.4, 3.3Phillips, J. C., 2.4Phillips, S. E. V., 3.3Phizackerley, R. P., 2.4Phong, B. T., 3.3Pickworth, J., 2.3Pielartzik, H., 4.5Pietila, L.-O., 3.4Pietronero, L., 4.2Pietsch, U., 2.5Pifferi, A., 2.2Pigram, W. J., 4.5Pilling, D. E., 1.3Pindak, R., 4.4Pink, M. G., 3.3Pinsker, Z. G., 2.5, 5.1Pirie, J. D., 4.1Piro, O. E., 2.2Platas, J. G., 2.2Plotnikov, A. P., 2.5Plotnikov, V. P., 2.5Podjarny, A. D., 2.2, 2.3, 2.4Podurets, K. M., 5.3Pogany, A. P., 2.5Pokrovsky, V. L., 4.4Polder, D., 5.1Polidori, G., 2.2Poljak, R. J., 2.3Pollack, H. O., 1.3Pond, R. C., 2.5Poole, C. P., 3.3Popa, N. C., 4.1Pople, J. A., 1.2Popp, D., 4.5Porter, T. K., 3.3Portier, R., 2.5, 5.2Potenzone, R., 3.3Potterton, E. A., 3.3Potts, R. B., 1.3Pouget, J. P., 4.2Powell, B. M., 4.2Prandl, W., 4.2

Press, W., 4.2, 4.6Preston, A. R., 2.5Prick, A. J., 2.2Prins, J. A., 2.4, 4.2, 5.1Prosen, R. J., 1.3, 2.3Prost, J., 4.4Pryor, A. W., 4.1, 4.6Puliti, P., 5.3Purisima, E. O., 3.3Pustovskikh, A. I., 2.5Pynn, R., 4.1

Quandalle, P., 1.3Quiocho, F. A., 3.3Qurashi, M. M., 1.3

Rabinovich, D., 2.1, 2.3Rabinovich, S., 2.1Rabson, D. A., 4.6Rackham, G. M., 2.5Rader, C. M., 1.3Radermacher, M., 2.5Radha, A., 4.5Radhakrishnan, R., 3.3Radi, G., 2.5Radon, J., 2.5Radons, W., 4.2Rae, A. D., 2.2Raghavacharyulu, I. V. V., 1.5Raghavan, N. V., 2.4Raghavan, R. S., 2.4Raimondi, D. L., 1.2Raıtman, E. A., 5.3Raiz, V. Sh., 2.4Raja, V. N., 4.4Rajagopal, H., 2.4Ralph, A., 2.2Ralph, A. C., 2.2Ramachandran, G. N., 2.2, 2.3, 2.4,

2.5, 5.1Raman, C. V., 4.1Raman, S., 2.2, 2.3, 2.4Ramaseshan, S., 2.3, 2.4Rango, C. de, 2.2, 2.4Rao, R. R., 1.3Rao, S. N., 2.3Rao, S. T., 3.3Rasmussen, K., 3.4Ratna, B. R., 4.4Rauch, H., 5.3Raum, K., 5.3Ravelli, R., 2.2Rawiso, M., 4.4Rayleigh (J. W. Strutt), Lord, 1.3,

2.1Rayment, I., 2.3, 3.3Read, R. J., 2.3Rees, A. L. G., 2.5Reid, T. J. III, 2.3Reif, F., 1.3Reijen, L. L. van, 1.3Reiner, I., 1.3Reiss-Husson, F., 4.4Remillard, B., 4.5Renninger, M., 5.1Reuber, E., 2.5Revol, J. F., 2.5Rez, P., 2.5, 4.3, 5.2Rhyner, J., 4.6Ricci, R., 4.2Rice, S. O., 1.3Richardson, J. S., 3.3

576

AUTHOR INDEX

Page 7: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Richardson, R. M., 4.4Rickert, S. E., 4.5Riekel, C., 4.2Riesz, M., 1.3Rietveld, H. M., 4.2Rimmer, B., 2.3Rivard, G. E., 1.3Robertson, J. H., 2.3Robertson, J. M., 1.3, 2.3, 2.4,

3.2Robinson, G., 1.3, 3.2Rodewald, M., 4.3Rodgers, J. R., 3.3Rodgers, J. W., 2.4Rodrigues, A. R. D., 5.3Roetti, C., 1.2Rogers, D., 2.1, 2.2, 2.3Rokhsar, D. S., 4.6Rollett, J. S., 1.3, 3.3Rosen, J., 1.5Rosenstein, R. D., 2.3Rosshirt, E., 4.2Rossmann, M. G., 1.3, 2.2, 2.3, 2.4,

3.3Rossouw, C. J., 4.3Roux, D., 4.4Rowlands, D., 2.3Rowlands, R. J., 4.5Rozenfeld, A., 2.5Rueckert, R. R., 2.3Ruedenberg, K., 1.2Rugman, M., 4.4Ruland, W., 4.2Rust, H.-P., 2.5Rustichelli, F., 5.3Ruston, W. R., 4.2Rybnikar, F., 4.5Ryden, L., 2.3Ryskin, A. I., 2.5

Sabine, T. M., 4.2Sackmann, H., 4.4Sadashiva, B. K., 4.4Sadoc, J. F., 4.4Sadova, N. I., 2.5Safinya, C. R., 4.4Safran, S. A., 4.4Sahni, V. C., 4.1Saito, P., 2.5Saito, Y., 2.3Saka, T., 5.1Sakabe, K., 2.2Sakabe, N., 2.2Sakurai, K., 4.2Salamon, M. B., 4.2Sande, G., 1.3Sander, B., 5.3Sandonis, J., 5.3Sands, D. E., 1.1, 3.1Sarko, A., 4.5Sasada, Y., 2.3, 3.3Sato, H., 4.2Satow, Y., 2.4Saupe, A., 4.4Sauvage, M., 4.3, 5.3Sayre, D., 1.3, 2.2, 2.4, 2.5, 4.5Scaringe, P. R., 4.2Scaringe, R. P., 2.5Schacher, G. E., 3.4Schaetzing, R., 4.4Schapink, F. W., 2.5Scharpf, O., 4.2

Schenk, H., 2.2Scheraga, H. A., 3.3Scheringer, C., 1.2Scherm, R., 5.3Scherzer, O., 2.5Schevitz, R. W., 2.2, 2.3, 2.4Schilling, J. W., 2.3Schiske, P., 2.5Schlenker, M., 5.3Schmatz, W., 4.2Schmid, S., 2.5Schmidt, H. H., 5.3Schmidt, T., 2.3Schmidt, W. C. Jr, 3.3Schneider, A. I., 4.5Schoenborn, B. P., 2.4Schofield, P., 4.1Schomaker, V., 1.1, 1.2, 1.3, 2.3,

2.5, 3.2Schoone, J. C., 2.4Schramm, H. J., 2.5Schroeder, M. R., 1.3Schuessler, H. W., 1.3Schulz, H., 1.2, 4.2Schulze, G. E. R., 5.3Schumacker, R. A., 3.3Schuster, S. L., 4.1Schutt, C. E., 1.3, 2.3Schwager, P., 1.3, 2.4Schwartz, L., 1.3Schwartz, L. H., 4.2Schwartzman, A., 2.5Schwarzenbach, D., 1.2Schwarzenberger, R. L. E., 1.3Schweizer, J., 5.3Scott, W. R., 1.3Scraba, D. G., 2.3Scudder, M. L., 2.4Sears, V. F., 4.2, 5.3Sedlakova, L., 5.3Seidl, E., 5.3Seitz, E., 4.2Seitz, F., 1.4Sekii, H., 2.5, 5.2Sellar, J. R., 5.2Selling, B. H., 2.3Semiletov, S. A., 2.5Senechal, M., 4.6Sethna, J. P., 4.4Sha, B.-D., 2.5Shaffer, P. A. Jr, 1.3Shakked, Z., 2.1, 2.3Shankland, K., 2.5, 4.5Shannon, C. E., 1.3Shannon, M. D., 2.5Shao-Hui, Z., 2.2Shappell, M. D., 2.3Shashidhar, R., 4.4Shashua, R., 2.1Sheat, S., 2.3Shechtman, D., 2.5, 4.6Sheldrick, G. M., 2.2, 2.3Shen, Y. R., 4.4Shenefelt, M., 1.3Sheriff, S., 2.4Sherry, B., 2.3Sherwood, J. N., 4.2Shilov, G. E., 1.3Shil’shtein, S. Sh., 5.3Shimanouchi, T., 3.3Shipley, C. G., 4.4Shirane, G., 4.1, 4.2

Shmueli, U., 1.1, 1.3, 1.4, 2.1, 3.1,3.2

Shoemaker, C. B., 2.3Shoemaker, D. P., 1.3, 2.3Shoemaker, V., 2.5Shohat, J. A., 1.3Shore, V. C., 2.4Shortley, G. H., 1.2Shotton, M. W., 4.5Shtrikman, S., 4.4Shull, C. G., 5.3Sicignano, A., 2.3Siddons, D. P., 5.3Sidorenko, S. V., 2.5Sieber, W., 3.3Siegel, B. M., 2.5Sieker, L. C., 2.4Sigaud, G., 4.4Sigler, P. B., 2.2, 2.3, 2.4Sikka, S. K., 2.4Sikorski, A. Z., 2.5Silcox, J., 4.3Siliqi, D., 2.2Silverman, H. F., 1.3Sim, G. A., 2.2, 2.3, 4.5Simerska, M., 2.2Simonov, V. I., 2.2, 2.3Simpson, P. G., 2.3Singh, A. K., 2.3, 2.4Singleton, R. C., 1.3Sinha, S. K., 4.4Sint, L., 2.2Sippel, D., 5.3Siripitayananon, J., 4.2Sirota, E. B., 4.4Sirota, M. I., 2.5Sivardiere, J., 5.3Sjogren, A., 2.5Skehel, J. J., 2.3Skilling, J., 1.3Skoglund, U., 2.3Skoulios, A., 4.4Skuratovskii, I. Y., 4.5Slater, L. S., 1.5Slepian, D., 1.3Sluckin, T. J., 4.4Sly, W. G., 1.3Smaalen, S. van, 4.6Small, D., 4.4Smith, A. B. III, 4.4Smith, D. J., 2.5Smith, G., 3.3Smith, G. S., 4.4Smith, G. W., 4.4Smith, J. L., 2.2, 2.3Smith, T., 4.1Smits, J. M. M., 2.2Smoluchowski, R., 1.5Sneddon, I. N., 1.3Soboleva, A. F., 2.5Socolar, J. E. S., 4.6Soeter, N. M., 2.3Sokol’skii, D. V., 5.3Solitar, D., 1.3Solomon, L., 4.4Somenkov, V. A., 5.3Soni, R. P., 1.3Sorensen, L. B., 4.4Spagna, R., 2.2Spargo, A. E. C., 2.5Sparks, C. J., 1.2, 4.2Sparks, R. A., 1.3, 3.3

Speake, T. C., 1.3Speakman, J. C., 2.3Spek, A. L., 2.2Spence, J. C. H., 2.5, 4.3Spiegel, M. R., 2.1Spink, J. A., 2.5Sprang, S. R., 3.3Sprecher, D. A., 1.3Springer, T., 4.2, 4.4Sprokel, G. E., 4.4Sproull, R. F., 3.3Squire, J. M., 4.5Squires, G. L., 1.2, 4.1, 5.3Srinivasan, R., 2.1, 2.2, 2.4Staden, R., 1.3, 2.3, 3.3Stanley, E., 2.2, 4.5Stark, W., 4.5Stassis, C., 5.3States, D. J., 3.3Staudenmann, J. L., 5.3Stauffacher, C. V., 2.3Steeds, J. W., 2.5Stegemeyer, H., 4.4Steger, W., 4.2Stegun, I. A., 2.1Steigemann, W., 1.3, 2.4Stein, Z., 2.1Steinberger, I. T., 4.2Steinhardt, P. J., 4.6Steinkilberg, M., 2.5Steinrauf, L. K., 2.3Steitz, T. A., 2.3Stephanik, H., 5.1Stephen, M. J., 4.4Stephens, P. W., 4.4, 4.6Stephenson, G. B., 4.4Steurer, W., 4.6Stevens, E. D., 1.2Stewart, A. T., 4.1Stewart, R. F., 1.2Stokes, H. T., 1.5Storks, K. H., 4.5Stout, G. H., 1.3, 2.3Stragler, H., 4.4Strahs, G., 2.3Strandberg, B., 2.3Strandberg, B. E., 1.3, 2.3, 2.4Strassler, S., 4.2Stratonovich, R. L., 1.2Stroud, R. M., 2.4Stroud, W. J., 4.5Strzelecki, L., 4.4Stuart, A., 1.2, 2.1Stuart, D., 2.3Stubbs, G., 4.5Stubbs, G. J., 4.5Sturkey, L., 5.2Sturtevant, J. M., 4.5Su, Z., 1.2Suck, D., 2.3, 3.3Sundaralingam, M., 3.3Sundaram, K., 3.3Sundberg, M., 2.5Suresh, K. A., 4.4Suryan, G., 1.3Sussman, J. L., 1.3, 2.4Sutcliffe, D. C., 3.3Sutherland, I. E., 3.3Suzuki, E., 4.5Suzuki, H., 4.5Swaminathan, S., 3.3Swanson, S. M., 3.3

577

AUTHOR INDEX

Page 8: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Swartzrauber, P. N., 1.3Swoboda, M., 4.3Symmons, M. F., 4.5Szego, G., 1.3Szillard, L., 2.4

Tadokoro, H., 4.5Taftø, J., 2.5, 4.3Taguchi, I., 2.2Tajbakhsh, A. R., 4.4Takagi, S., 2.5, 5.1, 5.3Takahashi, H., 5.2Takahashi, T., 5.3Takaki, Y., 4.2Takano, T., 1.3Takenaka, A., 3.3Takeuchi, Y., 2.3, 2.4Talapov, A. L., 4.4Tamarkin, J. D., 1.3Tanaka, K., 1.2Tanaka, M., 2.5, 5.2Tanaka, N., 2.3, 2.4, 4.3Tanaka, S., 4.5Tanji, T., 2.5Tanner, B. K., 5.1Tardieu, A., 4.4Tarento, R. J., 4.4Tasset, F., 5.3Tasumi, M., 3.3Tatarinova, L. I., 4.5Tate, C., 2.2Taupin, D., 5.3Taylor, C. A., 1.3, 1.4, 4.2Taylor, D. J., 2.2Taylor, G. H., 4.4Taylor, R., 3.1Taylor, W. J., 2.3Tchoubar, D., 4.2Teeter, M. M., 2.3, 2.4Teller, E., 4.2, 4.5Temperton, C., 1.3Templeton, D. H., 2.4Templeton, L. K., 2.4Ten Eyck, L. F., 1.3Terauchi, M., 2.5Terwilliger, T. C., 2.3, 2.4Teworte, R., 5.1Thaler, R. M., 2.5Thierry, J. C., 2.3Thoen, J., 4.4Thomas, D. J., 3.3Thomas, K. M., 4.4Thompson, J. G., 2.5Thomsen, K., 3.3Thon, F., 2.5Thouless, D. G., 4.4Thuman, P., 2.2Tibbals, J. E., 4.2Tikhonov, V. I., 1.2Tinh, N. H., 4.4Tirion, M., 4.5Titchmarsh, E. C., 1.3Tivol, W. F., 2.5Tivol, W. T., 4.5Tjian, R., 3.3Tobacman, W., 2.5Toeplitz, O., 1.3Tolimieri, R., 1.3Tollin, P., 2.3Tolstov, G. P., 1.3Tomimitsu, H., 5.3Toner, J., 4.4

Tong, L., 2.3Toniolo, L., 4.2Tonomura, A., 2.5Toupin, R., 2.2Tournarie, M., 2.5, 5.2Tramontano, A., 3.3Traub, W., 2.2Treves, F., 1.3Trommer, W. E., 2.3Tronrud, D. E., 1.3Trueblood, K. N., 1.1, 1.2, 1.3, 2.3Truter, M. R., 1.3Tsernoglou, D., 3.3Tsipursky, S. I., 2.5Tsirelson, V. G., 2.5Tsoucaris, G., 2.2, 2.4Tsuda, K., 2.5Tsuji, M., 2.5, 4.5Tsukihara, T., 2.3, 3.3Tsuprun, V. L., 2.5Tucciarone, A., 4.2Tucker, R. C., 2.3Tukey, J. W., 1.3Tulinsky, A., 2.4Turberfield, K. C., 4.2Turner, J., 3.3Turner, J. N., 2.5Turner, P. S., 2.5, 4.5Typke, D., 2.5

Uchida, Y., 4.3Ueki, T., 2.4Ueno, K., 2.5Uhrich, M. L., 1.3Ungaretti, L., 2.4Unge, T., 2.3Unwin, P. N. T., 2.5Uragami, T., 5.1Usha, R., 2.3Ushigami, Y., 5.3Utemisov, K., 5.3Uyeda, N., 2.5Uyeda, R., 2.5, 4.3

Vaara, I., 2.3Vacher, R., 4.1Vagin, A. A., 2.5Vainshtein, B. K., 2.5, 4.2, 4.5Van Dael, W., 4.4Van der Pol, B., 1.3Van der Putten, N., 2.2Van Heel, M., 2.5Van Hove, L., 4.1, 4.3Van Tendeloo, G., 4.3Vand, V., 1.3, 2.5, 4.5Varady, W. A., 4.4Varghese, J. N., 1.3, 2.2Varnum, J. C., 2.3Vaucher, C., 4.4Vaughan, M. R., 2.5Vaughan, P. A., 2.2Vedani, A., 3.3Venkataraman, G., 4.1Venkatesan, K., 2.4Vereijken, J. M., 2.3Vermin, W. J., 2.2Vibert, P. J., 4.5Vickovic, I., 2.2Vijayan, M., 2.3, 2.4Vilkov, L. V., 2.5Villain, J., 4.4Vincent, R., 2.5

Viterbo, D., 2.2Vlachavas, D. S., 2.5Von der Lage, F. C., 1.2Vonderviszt, F., 4.5Voronova, A. A., 2.5Vos, A., 2.4Vrana, M., 5.3Vriend, G., 2.3Vries, T. A. de, 2.3Vrublevskaya, Z. V., 2.5Vulis, M., 1.3

Wagner, E. H., 5.1Waho, T., 4.3Wakabayashi, K., 4.5Walian, P. J., 2.5Walker, C. B., 4.1Waller, I., 1.2Walsh, G. R., 3.3Wang, B. C., 1.3, 2.3, 2.4Wang, D. N., 2.5Wang, H., 4.5Wang, J., 4.4Wang, X. J., 4.4Wang, Z. L., 4.3Ward, J. C., 1.3Ward, K. B., 2.3Warme, P. K., 3.3Warren, B., 1.3Warren, B. E., 1.3, 4.2, 4.4Warren, S., 4.5Warshel, A., 3.3Waser, J., 1.3, 1.4, 3.1, 3.2Watanabe, D., 2.5, 4.2, 4.3Watanabe, E., 2.5Watenpaugh, K. D., 1.4, 2.4Watson, D. G., 3.3Watson, G. L., 1.3Watson, G. N., 1.3Watson, H. C., 2.3Watson, K. J., 1.2Weckert, E., 5.1Weeks, C. M., 2.2, 4.5Weintraub, H. J. R., 3.3Weinzierl, J. E., 2.2, 2.3, 2.4Weiss, A. H., 4.4Weiss, G. H., 1.3, 2.1Weiss, R., 2.3Weiss, R. J., 1.2Weissberg, A. M., 2.2Welberry, T. R., 4.2, 4.5Welch, P. D., 1.3Wells, M., 1.3, 1.4Welsh, L. C., 4.5Wenk, H.-R., 2.5Wentowska, K., 4.4Werner, S. A., 4.2, 5.3Wesolowski, T., 3.3West, J., 1.3Westbrook, J. D., 1.4Weyl, H., 1.3Weymouth, J. W., 4.1Whelan, M., 4.3Whelan, M. J., 2.5, 4.3, 4.5, 5.2White, J. G., 2.3White, P., 2.2White, T. J., 2.5Whitfield, H. J., 2.5, 5.2Whittaker, E. J. W., 1.3Whittaker, E. T., 1.3, 3.2Widder, D. V., 3.4Widom, H., 1.3

Wiener, N., 1.3Wigner, E. P., 1.5Wiley, D. C., 2.3Wilfing, A., 5.3Wilke, W., 4.2Wilkins, M. H. F., 4.5Wilkins, S. W., 1.3, 2.2Williams, D. E., 3.4, 4.1Williams, G. J. B., 3.3Williams, R. M., 4.4Williams, T. V., 3.3Willis, B. T. M., 1.2, 4.1, 4.6Willoughby, T. V., 3.3Wilson, A. J. C., 1.3, 2.1, 2.2, 2.3,

2.4, 2.5, 4.2, 4.5Wilson, E. B., 1.1Wilson, I. A., 2.3Wilson, I. J., 2.5Wilson, K. S., 2.1, 2.2Wilson, S. A., 5.3Windsor, C. G., 4.2Winkler, F. K., 1.3, 2.3Winkor, M. J., 4.4Winograd, S., 1.3Winter, W. T., 4.5Wintgen, G., 1.5Wintner, A., 1.3Wipke, W. T., 3.3Withers, R. L., 2.5, 4.2Wittmann, J. C., 2.5, 4.5Wolf, E., 5.1Wolf, J. A., 1.3Wolff, P. M. de, 2.2, 2.5, 4.2,

4.6Wonacott, A. J., 2.4, 4.5Wondratschek, H., 1.3, 1.5, 2.2Wong, S. F., 4.2Woodward, I., 2.3, 2.4Woolfson, M. M., 1.3, 2.1, 2.2, 2.3,

2.5Wooster, W. A., 4.2Wright, D. C., 4.6Wright, M. H., 3.3Wrighton, P. G., 4.4Wrinch, D. M., 2.3Wu, T. B., 4.2Wu, X.-J., 2.5Wuensch, B. J., 4.2Wunderlich, B., 4.5Wunderlich, J. A., 2.3Wyckoff, H. W., 1.3, 2.3, 4.5Wynn, A., 3.3

Xiang, S.-B., 2.5Xiaodong, Z., 1.4Xu, P. R., 4.3

Yagi, N., 4.5Yamamoto, A., 4.6Yamashita, I., 4.5Yang, Y. W., 1.2Yao, J.-X., 2.2, 2.5Yelon, W. B., 5.3Yessik, M., 4.2Yip, S., 4.1Yonath, A., 2.2York, B., 2.2Yoshioka, H., 4.3Yosida, K., 1.3Young, A. P., 4.4Young, C. Y., 4.4Young, R. A., 4.2

578

AUTHOR INDEX

Page 9: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Yu, L. J., 4.4Yuan, B.-L., 4.5

Zachariasen, W. H., 1.3, 1.4, 2.4,5.1, 5.3

Zak, J., 1.5Zalkin, A., 2.4Zanotti, G., 2.2Zarka, A., 5.3Zaschke, H., 4.4

Zassenhaus, H., 1.3Zechmeister, K., 1.3, 2.5Zegenhagen, J., 5.1Zeilinger, A., 5.3Zeitler, E., 2.5Zelenka, J., 5.3Zelepukhin, M. V., 5.3Zelwer, C., 2.2Zemanian, A. H., 1.3Zemlin, F., 2.5

Zenetti, R., 4.2Zernike, F., 4.2Zeyen, C., 4.2, 5.3Zhang, W. P., 2.5Zhao, Z. X., 2.5Zheng, C.-D., 2.2, 2.5Zhong, Z.-Y., 2.5Zhukhlistov, A. P., 2.5Ziman, J. M., 1.1Zobetz, E., 4.6

Zolotoyabko, E., 5.3Zou, J.-Y., 3.3Zucker, I. J., 3.4Zucker, U. H., 1.2Zugenmaier, P., 4.5Zuo, J. M., 2.5Zvyagin, B. B., 2.5Zwick, M., 1.3, 2.3, 2.4Zygmund, A., 1.3

579

AUTHOR INDEX

Page 10: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Subject index

A posteriori probability, 423A priori probability, 415Ab initio phase determination, 261

for proteins, 231Abbe theory, 282Abel summation procedure, 45Abelian groups, 40, 73Aberrations, 282Absolute configuration, 264, 267Absolutely integrable functions, 27Absorbing crystals, 536, 545–547Absorption coefficient, 541, 546

effective, 536linear, 535phenomenological, 281

Absorption edge, 266Absorption function, 445Absorption in electron diffraction, 312Accelerated convergence, 385

formula via Patterson function, 389Acceptance domain, 492Acentric reflections, 69Acoustic modes, 402Action, 64Additive reindexing, 57Adiabatic approximation, 400Adjusted coefficients, 167Affine change of coordinates, 35Affine change of variables, 39Affine space-group type, 163Affine transformation, 105Agarwal’s FFT implementation of the Fourier

method, 90Alfalfa mosaic virus, 250Algebra of functions, 70Algebraic integers, 73, 76Algebraic method of reconstruction, 318Algebraic number theory, 77Aliasing, 46–47, 86Allowed origins, 210‘Almost everywhere’, 27Analytical electron microscope, 285Analytical methods of probability theory, 94Angle between two vectors, 348Angles

Eulerian, 252, 362spherical, 252

Anisotropic displacement tensors, 6Anisotropic fluid, 449Anisotropic Gaussian atoms, 60Anisotropic temperature factors, 69Anisotropic weights, 355Annular dark-field detector, 283Anomalous absorption, 541, 562Anomalous difference, 270, 272Anomalous dispersion (scattering), 246–247,

264–266integration with direct methods, 232Patterson function, 248

Anomalous scatterers, 60–61, 69, 247, 266, 268Anomalous transmission effect, 541Anti-nodes of standing waves, 541Antiferromagnetic domains, 564Antisymmetric tensor, 6Aperiodic crystal, 486

ideal, 486Aperiodic structure, 486Apparent noncrystallographic symmetry, 255Approximate helix symmetry, 469

Approximationsadiabatic, 400Bethe, second, 280Born, first-order, 10, 279Born, second-order, 11Born–Oppenheimer, 18Edgeworth, 23forward-scattering, 280harmonic, 400kinematical, 58, 279–280, 309, 326, 481,

561phase-grating, 556phase-object, 280, 445projected charge-density, 283projection, 286, 553saddlepoint, 94–95seven-beam, 556small-angle-scattering, 278three-beam, 556two-beam, 280, 553two-beam dynamical, 326weak-phase-object, 283

Area detector, 275Argand diagram, 264Arithmetic classes, 66

of representations, 66Arithmetic crystal class, 164Arms of star, 165Artificial temperature factor, 87, 92Aspherical-atom form factor, 15Associated actions in function spaces, 65Associativity properties of convolution, 92Assumption of independence, 205Assumption of uniformity, 199, 205Asymmetric carbon atom, 267Asymmetric images, 314Asymmetric unit, 64, 67, 166

noncrystallographic, 244Asymmetry ratio, 539Asymptotic distribution of eigenvalues of

Toeplitz forms, 43, 63Asymptotic expansions

and limit theorems, 95of Gram–Charlier and Edgeworth, 97

Atom-centred spherical harmonic expansion,14

Atomic characteristic functions, 206Atomic electron densities, 70Atomic error matrix, 358Atomic force-constant matrix, 401Atomic form factor, 10

X-ray, 275Atomic scattering factor, 10, 265

spherical, 10Atomic scattering length, 11Atomic surface, 486, 492Atomic temperature factor, 18Autocorrelation, 61Autocorrelation function, 320Automated Patterson-map search, 321Automorphism, 65–66Average difference cluster method, 429Average intensity

of general reflections, 190of zones and rows, 191

Average multiples for point groups, 193Average periodic structure, 409Averaged electron density, 261Axial disorder, 429

Back-projection method of reconstruction, 318Back-shift correction, 89Back surface, 547Background diffraction, accurate subtraction

of, 473Backward convolution theorem, 43, 70Bacterial rhodopsin, 262Banach spaces, 28Band-limited function, 47Base-centred lattices, 83Bases

Cartesian, 7contravariant, 5covariant, 5direct and reciprocal, relationships between, 3mutually reciprocal, 2–3primitive, 163reference, choice of, 7

Basic crystallographic computations, 84Basic domain, 166Basic structure, 487Basis vectors, contravariant, 348Bayesian statistical approach to the phase

problem, 98Beevers–Lipson factorization, 55, 71Beevers–Lipson strips, 71, 86Bessel’s inequality, 45Best Fourier, 84, 272Best phase, 272Best plane, 353Beta distribution

first kind, 197second kind, 197

Bethe approximation, second, 280Biaxial nematic order, 452Bieberbach theorem, 64Bijvoet differences, 248Bijvoet equivalents, 268–269Bijvoet pair, 267–268Bilder, 382Binary systems, distortions in, 433Binding energy, 265Bloch-wave formulation, 555Bloch waves, 278, 536Bloch’s theorem, 9, 401

alternative form of, 9Blow and Crick formulation, 271Body-centred lattices, 83Body-diagonal axes, 113Bond angles, 379Bond orientational order, 449Booth’s differential Fourier syntheses, 88Booth’s method of steepest descents, 89Borie–Sparks method, 434Born approximation

first-order, 10, 279second-order, 11

Born series, 279, 555expansion, 445

Born–Oppenheimer approximation, 18Born–von Karman theory, 400Borrmann effect, 281, 541Borrmann triangle, 548Boundary conditions, 536, 546

at exit surface, 542Bounded projections, 63, 85Bounded subset, 26Bragg case, 539Bragg condition, symmetric, 287

580

Page 11: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Bragg–Lipson charts, 86Bragg’s law, departure of incident wave

from, 538Branch, 401Bravais lattices

centred, 105direct and reciprocal, 105

Bright-field disc, 288Bright-field image intensity, 311Brillouin zone, 9, 401

first, 165Bulk plasmon excitation, 278Burg entropy, 64Burnside’s theorem, 66Butterfly loop, 51

Calculusof asymmetric units, 73operational, 28

Carpet of cross-vectors, 250Cartesian basis, 7Cartesian coordinate system, 348Cartesian frames of reference, 5Cartesian product, 26, 40Cartesian system, transformation to, 3Cauchy kernel, 45Cauchy sequence, 27Cauchy–Schwarz inequality, 27, 45Cauchy’s theorem, 95CBED (convergent-beam electron

diffraction), 285Cell constants, 475Central-limit theorem, 95, 194

Lindeberg–Levy version, 199Centre-of-mass translational displacements, 437Centre of symmetry, 289

false, 100Centred Bravais lattice, 105Centred lattices, 68Centric reflections, 68Centring

effect of, 191translations, 106type, 106

Centrosymmetric projections, 242Centrosymmetry

determination of, 292status of, 108

Cesaro sum, 44Chain rule, 91Chain trace, 384Change-of-basis matrix, 107Change of crystal axes, 104Channelling pattern, 447Characteristic functions, 94, 192, 204

atomic, 206CHARMM, 384Chem-X, 384CHEMGRAF, 381Chemical correctness of polypeptide fold, 261Chinese remainder theorem (CRT), 51, 57, 76

for polynomials, 54, 77reconstruction, 52reconstruction formula, 54

Chirality, 267Choice of reference bases, 7Cholesteryl iodide, 240�-Chymotrypsin, 260Circular harmonic expansions, 93Classical Thomson scattering, 10Classification of crystallographic groups, 66Clebsch–Gordan coefficients, 18

Closed point group, 248Closed subset, 26Cluster model, 448Clustering, 429Clusters, 411Cochran’s Fourier method, 89Cocycle, 79Coherence, 376Coherence length, 467Coherent scattering, 404Column part, 163Communication, statistical theory of, 96Commutative ring, 51Compact subset, 26Compact support, 26, 36, 43

distributions with, 31, 39, 41–42, 45Complement of the incomplete gamma

function, 386–387Complete normed space, 28Complete vector spaces, 27Completely reducible matrix group, 163Complex antisymmetric transforms, 80Complex scattering factor, 246Complex symmetric transforms, 80Components of vector products, 349Components of vectors, 5Composite lattice, 385, 388Composite structure, 489Compound nucleus, 11Compound transformations, 371Compton scattering, 405Computational and algebraic aspects of mutually

reciprocal bases, 4Computer-adapted space-group symbols, 102,

106, 112Computer-algebraic languages, 106Computer architecture, 50, 58Condensed ring systems, 379Conditional pair probability, 415Conforming/non-conforming disorder, 429Conformons, 374Conjugacy classes of subgroups, 65Conjugate and parity-related symmetry, 79Conjugate distribution, 96–97Conjugate families of distributions, 98Conjugate gradient method, 378Conjugate symmetry, 35, 39Conjugation, 65Connectivity

drawing, 377implied, 377logical, 377structural, 377

Connectivity tree, 382Consistency condition, 38Constant Q mode, 405Constraints on interpretation of Patterson

functions, 248Continuous diffraction on layer lines, 473Contragredient, 39

of a matrix, 35Contravariant bases, 5Contravariant basis vectors, 348Contravariant components, 5Conventional coefficients, 167Convergence

accelerated, 385accelerated, formula via Patterson

function, 389of distributions, 31of Fourier series, 44

Convergence method, 227

Convergence-accelerated direct sum, 387Convergent-beam electron diffraction

(CBED), 285principal-axis pattern symmetries, 296space-group determination by, 285

Conversion of translations to phase shifts, 35Convolution, 61, 235

associativity properties of, 92cyclic, 49, 53of distributions, 33of Fourier series, 43of probability densities, 94of two distributions, 34

Convolution property, 35, 49Convolution techniques, 324Convolution theorem, 36–37, 41–42, 44, 63, 94,

98backward version, 43, 70forward version, 43, 61, 70

Convolution theorems with crystallographicsymmetry, 70

Cooley–Tukey algorithm, 50, 58, 71vector-radix version, 55

Cooley–Tukey factorization,multidimensional, 55–56, 74

Coordinate systemsCartesian, 348natural, 348

Coordinatesaffine change of, 35fractional, 41, 59, 252homogeneous, 360, 363non-standard, 41screen, 368, 370spherical polar, 252standard, 41, 59, 67transformation of, 5, 7, 33world, 368

Copolymers, random, 470Core of discrete Fourier transform matrix, 77Correction-factor approach, 199, 208Correlated lattice disorder, 472Correlation, 61Correlation functions, 70, 92, 243, 405, 415, 444

short-range-order, 429Correlation length, 452

pretransitional lengthening of, 453Correlations

intermolecular, 437librational–librational, 437vibrational–librational, 437

Coset averaging, 46–47Coset decomposition, 46, 55Coset reversal, 56Cosets, 46, 67

left, 64right, 64

Cosine strips, 71Coulombic energy, 385Coulombic lattice energy, 385, 389Covariance, 350

interatomic, 354Covariances, 354Covariant bases, 5Covariant components, 5Cowpea mosaic virus, 250Critical angle, 456Critical scattering, 453Cross correlation, 70Cross-correlation function, 314Cross-Patterson vectors, 251Cross-rotation function, 92

581

SUBJECT INDEX

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Cross-vectors, 242carpet of, 250

CRT (Chinese remainder theorem), 51, 57, 76for polynomials, 54, 77reconstruction, 52reconstruction formula, 54

Cruickshank’s modified Fourier method, 90Crystal axes, change of, 104Crystal class, arithmetic, 164Crystal defects, 292

in thin films, 445Crystal periodicity, 59Crystal structure imaging, 284Crystal symmetry, 64Crystal systems, 66, 108Crystal-B phase, 460Crystal-E phase, 462–463Crystal-G phase, 462Crystal-H phase, 463Crystal-J phase, 462Crystal-K phase, 463Crystalline approximant, 486Crystallographic applications of Fourier

transforms, 58Crystallographic discrete Fourier transform, 72

algorithms, 71Crystallographic extension of the Rader/

Winograd factorization, 76Crystallographic Fourier transform theory, 59Crystallographic group action, 74

in real space, 67in reciprocal space, 68

Crystallographic groups, 64classification of, 66

Crystallographic statistics, 199Crystallographic symmetry, 248Cubic groups, 83Cubic space groups, 102Cumulant expansion, 22Cumulant-generating functions, 95, 193Cumulative distribution functions, 196Cuprous chloride azomethane complex, 238Cyclic convolution, 49, 53Cyclic (even) permutation of coordinates, 102–

103, 107Cyclic groups, 66Cyclic symmetry, 77Cyclotomic polynomials, 54Cylindrically averaged diffraction patterns, 471Cylindrically averaged Patterson function, 475

Dark-field discs, 287Data flow, 58Data handling, Hall symbols in, 107Data space, 367, 369, 371–372de la Vallee Poussin kernel, 44Debye model, 402Debye theory, 400Debye–Waller factor, 453, 542Decagonal phase, 503Decimation, 26, 47, 51

and subdivision of period lattices, dualitybetween, 46

in frequency, 51, 56, 79in time, 51, 79period, 47

Decimation matrix, 55–56, 73Decomposition, 72

coset, 46, 55Deconvolution of a Patterson function, 240Defects, 278, 429

Defocusoptimal, 311Scherzer, 283Scherzer, conditions, 311

Deformed crystal, 540Delta functions, 26

Dirac, 29, 386periodic, 206transforms of, 39

Density modification, 84, 324Density modulation, 496

harmonic, 496symmetric rectangular, 497

Density of nuclear matter, 2Deoxyhaemoglobin, 261Depth cueing, 371, 381Derivatives

for model refinement, 88for variational phasing techniques, 87

Detectorsannular dark-field, 283area, 275

Determinantal formulae, 223Determinantal inequalities, 63Deviation parameter, 539–541Diamond’s real-space refinement method, 92Dielectric susceptibility, 535, 550

Fourier expansion of, 535Difference Fourier analysis, 474Difference Fourier synthesis, 270, 477Difference Fourier technique, 270Difference Patterson functions, 244–245

isomorphous, 244Differential syntheses, 36, 63, 90Differentiation, 26, 35

and multiplication by a monomial, 39of distributions, 31under the duality bracket, 31

Differentiation identities, 49Differentiation property, 98Diffraction

by helical structures, 93, 467dynamical, 325

Diffraction beams, intensities of, 308Diffraction conditions, 59Diffraction imaging techniques, 564Diffraction patterns, cylindrically averaged,

471Diffraction point-group tables, 290Diffraction relations, 2Diffraction vector, 2Diffractometers, optical, 314Diffuse scattering, 443

elastic, 407inelastic, 407measurement of, 438of X-rays, 407thermal, 407

Digit reversal, 51, 56, 58Digital electronic computation of Fourier

series, 71Dihedral symmetry, 77Dimension of a representation, 163Dipalmitoylphosphatidylcholine, 464Dipole moment, 389Dirac delta function, 29, 386Direct and reciprocity symmetries, 286Direct Bravais lattice, 105Direct inspection of structure-factor

equation, 100Direct lattice, 2, 5, 41, 106, 164Direct-lattice sum, 388

Direct methods, 94, 102, 270, 320in macromolecular crystallography, 231integration with anomalous-dispersion

techniques, 232integration with isomorphous replacement

techniques, 232Direct-methods packages, 230Direct metric, 4Direct phase determination, 36

for proteins, ab initio, 231in electron crystallography, 320

Direct reconstruction, methods of, 317Direct space, 163Direct-space crystal lattice, 386Direct-space sum, 385Direct-space transformations, 104Direct unit-cell parameters, 4Direction cosines of plane normal, 357Dirichlet kernel, 44

spherical, 60, 84Disc symmetries, internal, 292Discotic phases, 463Discrete Fourier transform matrix, core of, 77Discrete Fourier transformation, 45Discrete Fourier transforms, 25, 72

algorithms, 71matrix representation of, 49numerical computation of, 49properties of, 49

Discretization, 317Dislocations, 457Disorder, 443

axial, 429conforming/non-conforming, 429from turns, twists and torsions of chains, 429lattice, 471lattice, correlated, 472longitudinal, 428orientational, 436substitutional, 447, 471two-dimensional, 425

Disordered fibres, 467Dispersion corrections, 265, 268, 535Dispersion effects, 266Dispersion energy, 385Dispersion equations, 278Dispersion surface, 537, 555, 560Displacement modulations, 418Displacive modulation, 496

harmonic, 497Display space, 368, 371–373, 376Distance function, 28Distribution function, 420

cumulative, 196Distributions

associated with locally integrablefunctions, 30

beta, first kind, 197beta, second kind, 197conjugate, 96–97conjugate families of, 98convergence of, 31convolution of, 33–34definition of, 30differentiation of, 31division of, 33electron-magnetization, 11Fourier transforms of, 38gamma, 197Gaussian, 272hypersymmetric, 196ideal acentric, 195

582

SUBJECT INDEX

Page 13: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Distributionsideal centric, 196integration of, 32lattice, 42, 45–46maximum-entropy, 36, 97motif, 59multiplication of, 32non-ideal, 199, 203of finite order, 30of random atoms, 96of sums, averages and ratios, 197operations on, 31periodic, 41, 43, 59probability density, 192probability density, ideal, 195support of, 31T on �, 30tempered, 36, 38, 40, 45, 68tensor products of, 33theory of, 25, 28with compact support, 31, 39, 41–42, 45

Divided differences, 556Division of distributions, 33Division problem, 33Docking, 383Domain

basic, 166minimal, 166of influence, 165representation, 166

Domain structure, 383Double-phased synthesis, 265Double-sorting technique, 261Drawing connectivity, 377Dual, topological, 30–31, 38–39Dual relationships, 2Duality

between differentiation and multiplication bya monomial, 63

between periodization and sampling, 42between sections and projections, 40between subdivision and decimation of period

lattices, 46Duality bracket, 38Duality product, 31Dummy indices, 5Dynamic parallax, 369, 383Dynamical approximation, two-beam, 326Dynamical diffraction, 325, 445

theory, 280, 534two-beam, formulae, 281

Dynamical matrix, 401Dynamical scattering effects, 321Dynamical scattering factor, 446Dynamical shape function, 556Dynamical theory, 280, 534

fundamental equations, 536of neutron diffraction, 557plane-wave, 538solution of, 540

Dynamics, 9of three-dimensional crystals, 400

E maps, interpretation of, 228Edgeworth approximation, 23Edgeworth series, 95EDSA (electron-diffraction structure

analysis), 306Effect of centring, 191Effective absorption coefficient, 536Effective potential-energy function, 479Effects of symmetry on the Fourier image, 99

Eigenspace decomposition of L2, 36Eigenvalue, 554Eigenvalue decomposition, 378Einstein model, 402Elastic component of X-ray scattering, 10Elastic constants, measurement of, 406Elastic diffuse scattering, 407Electromagnetic electron lenses, 278, 282Electron band theory of solids, 537Electron crystallography, 320

direct phase determination, 320of polymers, 481of proteins, 321three-dimensional structure determination

by, 323Electron density, 2, 8, 17, 100, 272

averaged, 261real-space averaging of, 250, 261

Electron-density calculations, 69Electron-density maps, Fourier synthesis of, 84Electron diffraction, 443

sign conventions, 279–280Electron-diffraction data

for crystal-structure determination, 481three-dimensional, 324, 484

Electron-diffraction patternsgeometric theory of, 309polycrystal, 308single-crystal, 306texture, 307, 326

Electron-diffraction structure analysis(EDSA), 306

Electron distribution, atomic, radial dependenceof, 12

Electron lenses, electromagnetic, 278, 282Electron-magnetization distribution, 11Electron micrographs

Fourier transform of, 325, 482phase information from, 322

Electron-microscope image contrast, 445Electron-microscope imaging, 443Electronic analogue computer X-RAC, 71Electronic structure, 9Electrons, interaction with matter, 277Electrostatic energy, 385Electrostatic potential, 2Electrostatic properties of molecular

surfaces, 380Embedding method, n-dimensional, 487Enantiomer, 267Enantiomeric ambiguity, 237Enantiomorph definition, 227Enantiomorphic images, weak, 238Enantiomorphic solutions, 237Energy minimization, 380, 382, 384Entire functions, 36Entrance surface, 547Entropy, 87Envelope, 248Envelope functions, 283Epitaxic orientation techniques, 482Equal-amplitude assumption, 479Equal distribution, 43Equivalent matrix groups, 163Equivalent reflections, 267Error matrix, atomic, 358Error propagation, 353Errors, 271

root-mean-square, 273systematic, 351

Essential bounds, 43Essentially bounded function, 27

Euclidean algorithm, 46, 54, 62Euclidean norm, 26Euclidean space, 26Eulerian angles, 252, 362Eulerian space, 253Eulerian space groups, 254

rotation-function, 256Eulerian symmetry elements, 254Even (cyclic) permutation of coordinates, 102–

103, 107Ewald result, 385Ewald wave, 536Exchange between differentiation and

multiplication by monomials, 94Exchange between multiplication and

convolution, 26Excitation error, 552Excitations

bulk plasmon, 278inner-shell, 278interband, 278intraband, 278

Explicit-origin space-group notation, 112Explicit space-group symbols, 107–109Exploration of parameter space by molecular

model building, 474Exponential coefficient, 14Exsolution, 416Extended resolution, 261External fields, effect on neutron scattering, 562External modes, 402Extinction, 546Extinction conditions, real-space interpretation

of, 291Extinction distance, 539–541Extinction factors, 561Extinction rules for symmetry elements, 291

Face-centred lattices, 83Face-diagonal axes, 113Factor group, 65, 67Factorization, 72False centre of symmetry, 100Fast Fourier transform (FFT), 71Fast rotation function, 255Feedback method, 244Fejer kernel, 44

spherical, 60Fermi pseudo-potential, 557Fermi surface, 448FFT (fast Fourier transform), 71FHLE, 270FHUE, 270Fibonacci chain, 491Fibonacci sequence, 490Fibre axis, 467Fibre diffraction, 40, 474

R factor, 480specimens for, 467X-ray, 466

Fibresaxially periodic, transform of, 93disordered, 467macromolecular, 479noncrystalline, 467, 469, 474partially crystalline, 471polycrystalline, 467, 469, 474

Field of a k vector, 171Field emission gun, 285Figures of merit, 227, 272Films

freely suspended, 456

583

SUBJECT INDEX

Page 14: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Filmssmectic, 456

Filtered image, 314Filtering

iterative low-pass, 473rotational, 314

Finite field, 53Finite space group, 164First Brillouin zone, 165First-order Born approximation, 10, 279First-order perturbation theory, 353Flight time, neutron, 563Flipping ratio, 561Fluctuations from an average periodic

structure, 409Focusing of neutron beams, 563Force-constant matrix, atomic, 401Form factor, 60

aspherical-atom, 15atomic, 10atomic, X-ray, 275geometric, 501Kikuchi-line, 446

FORTRAN, 106FORTRAN interface, 106FORTRAN interpreter, 107Forward convolution theorem, 43, 61, 70Forward scattering, 552Forward-scattering approximation, 280Four-dimensional vector, 366Fourier analysis, 59

and filtration in reciprocal space, 313Fourier approach, 208Fourier coefficient, 44, 265Fourier convolution theorem, 10Fourier cotransform, 34Fourier cotransformation, 40Fourier expansion, 2

of dielectric susceptibility, 535Fourier images, 99, 284

effects of symmetry on, 99Fourier map, 265Fourier method, 203

Agarwal’s FFT implementation of, 90Fourier representation, 274Fourier series, 25

convergence of, 44convolution of, 43digital electronic computation of, 71electron density and its summation, 60

Fourier space, 101symmetry in, 105

Fourier summations, 101space-group-specific, 101

Fourier synthesis, 59, 268, 272best, 272of electron-density maps, 84

Fourier transformationdiscrete, 45for reconstruction, 318inverse, 35, 40mathematical theory of, 25

Fourier transforms, 25, 34, 386crystallographic applications, 58crystallographic, discrete, 72crystallographic, theory of, 59discrete, 25discrete, core of matrix, 77discrete, matrix representation of, 49discrete, numerical computation of, 49discrete, properties of, 49exchange of subdivision and decimation, 47

Fourier transformsin L1, 35in L2, 36in polar coordinates, 93in � , 37inverse, 8kernels of, 35of a distribution, 38of electron micrographs, 325, 482of periodic distributions, 41of tempered distributions, 38–39tables of, 38tensor product property of, 71various writings of, 38

Fourier-transform space, 386Fourier–Bessel series, 205Fourier–Bessel structure factors, 468Fractal atomic surface, 493Fractal sequence, 494Fractional coordinates, 41, 59, 252Frechet space, 28Freely suspended films, 456Fresnel reflection law, 456Friedel equivalent, 264, 266Friedel pair, 267Friedel’s law, 60, 68, 70, 246, 278Frobenius congruences, 66, 68Frodo, 383Fubini’s theorem, 28, 35, 38Function spaces

associated actions in, 65topology in, 28

Functional derivative, 91Functions of polynomial growth, 40Fundamental domain, 64, 66–67Fundamental equations of dynamical

theory, 536Fundamental region, 165Fundamental relationships, 3Fused-ring systems, 384

G-invariant function, 65Gamma distribution, 197Gamma function, 386

incomplete, 386, 389–390Gamma radiation, 274–275Gaussian atomic densities, 38Gaussian atoms, 67–68, 86

anisotropic, 60Gaussian distribution, 272Gaussian function, 38

standard, 37, 39Gaussian plane, general, 356Gaussian weights, 355Gaussians, 92General conditions for possible reflections, 100General Gaussian plane, 356General k vector, 165General linear change of variable, 35General multivariate Gaussians, 37General reflections, average intensity of, 190General topology, 28General translation function, 258Generalized multiplexing, 82Generalized Patterson function, 409Generalized Rader/Winograd algorithms, 83Generalized structure-factor formalism, 23Generalized support condition, 34Geometric form factor, 501Geometric redundancies, 62Geometric structure factors, 101, 120

Geometric theory of electron-diffractionpatterns, 309

Gibbs phenomenon, 44, 60GKS (Graphical Kernel System), 361GKS-3D (Graphical Kernel System for Three

Dimensions), 361Glide line, projected, 289Glide planes, horizontal, 289Global crystallographic algorithms, 82Glyceraldehyde-3-phosphate

dehydrogenase, 249, 261–262Good algorithm, 51Good factorization, multidimensional, 76Goodness of fit, 359Gram–Charlier series, 22, 95Gram–Schmidt process, 367, 379GRAMPS, 381Graphical Kernel System (GKS), 361Graphical Kernel System for Three Dimensions

(GKS-3D), 361Graphics, 360Gravity, 563–564Green’s theorem, 32, 86GRIP, 382Group actions, 64, 72

crystallographic, 74crystallographic, real space, 67crystallographic, reciprocal space, 68

Group characters, 82Group cohomology, 74Group extensions, 66Group of units, 50Group ring

integral, 74module over, 25

Group–subgroup relationship, 103Groups, 64GS (glide–screw) bands, 286Guide, 383

Haemoglobin, 242, 264, 269horse, 243

Half-bake, 231Hall symbols, 107, 112, 115

in data handling, 107in software, 107

Hankel transform, 93Hardy’s theorem, 38Harker diagram, 248, 265, 271–272Harker lines, 240Harker peaks, 71Harker planes, 240

special, 240Harker sections, 239–240Harmonic approximation, 400Harmonic density modulation, 496Harmonic displacive modulation, 497HDD (high-dispersion diffraction), 306Heavy atoms, 268Heavy-atom-derivative data sets, scaling of, 246Heavy-atom derivatives, 269Heavy-atom distribution, 270Heavy-atom location, 239

three-dimensional methods, 243Heavy-atom lower estimate, 248Heavy-atom parameters, 270Heavy-atom sites, 242Heavy-atom substitution, 245HEED (high-energy electron diffraction), 306Heisenberg’s inequality, 38, 84Helical structures, 429

diffraction by, 93, 467

584

SUBJECT INDEX

Page 15: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Helical symmetry, 93, 317, 467, 475approximate, 469

Helix repeat units, 468Hermann–Mauguin space-group symbol, 103Hermite function, 37, 95

multivariate, 37, 92Hermite polynomials, three-dimensional, 22Hermitian-antisymmetric transforms, 80Hermitian form, 43Hermitian symmetry, 60, 69, 79Herringbone packing, 462Hexagonal axes, 103Hexagonal family, 103Hexagonal groups, 83Hexagonal space groups, 103Hexatic phase, 458

in two dimensions, 457tilted, 458

Hexatic-B phase, 460Hexokinase, 261Hidden-line algorithms, 376Hidden-surface algorithms, 376High-dispersion diffraction (HDD), 306High-energy electron diffraction (HEED), 306High-resolution electron diffraction

(HRED), 306High-resolution electron microscopy

(HREM), 310High-voltage limit, 556Higher-order Laue zone (HOLZ), 292Highlighting, 376Hilbert space, 27, 34, 45Hologram, in-line, 285Holohedral point group, 166Holosymmetric space group, 166HOLZ (higher-order Laue zone), 292Homogeneous coordinates, 360, 363Homogeneous symmetric polynomial, 556Homometric pair, 237Homometric structures, 237Homomorphism, 163Horizontal glide plane, 289Horizontal mirror plane, 289Horse haemoglobin, 243HRED (high-resolution electron

diffraction), 306HREM (high-resolution electron

microscopy), 310Hybridization, 384HYDRA, 383Hydrogen bonding, 381, 383–384Hydrophobic properties of molecular

surfaces, 380Hyperatoms, 487Hypercrystal, 486, 488Hypersymmetric distributions, 196Hypothetical atoms, 87

Icosahedral phase, 509Ideal acentric distributions, 195Ideal aperiodic crystal, 486Ideal centric distributions, 196Ideal crystal, 163, 486Ideal probability density distributions, 195Idempotents, 52Image averaging in real space, 313Image contrast, electron-microscope, 445Image detection, 240Image enhancement, 310, 313Image intensity, bright-field, 311Image of a function by a geometric

operation, 26

Image processing in transmission electronmicroscopy, 310

Image reconstruction, 310Image resolution, 284Image restoration, 310–311Images

asymmetric, 314filtered, 314with point symmetry, 314

Immunoglobulin, 260Implication theory, 239Implicit function theorem, 33Implied connectivity, 377Improper rotation axes, 248Improper rotations, 108, 113In-disc symmetries, 287In-line hologram, 285Incident wave, departure from Bragg’s law, 538Incoherent inelastic scattering, 404Incoherent scattering, 404

inelastic, 404Incommensurability, 452Incommensurate intergrowth structure, 489Incommensurately modulated structure, 487Incomplete gamma function, 386, 389

complement of, 386–387evaluation of, 390

Independence, assumption of, 205Index, 64Index of refraction, 535Indicator functions, 32, 41, 46, 61, 84–85Individual symmetry elements, observation of, in

CBED patterns, 288Induction formula, 96Inductive limit, 30Inelastic component of X-ray scattering, 10Inelastic diffuse scattering, 407Inelastic neutron scattering, 404Inelastic scattering, 278, 443

diffuse, 407neutron, 404

Inequalities among structure factors, 217Inner-shell excitations, 278, 444Insight, 381Insight II, 384Instrumental resolution, 285Integral group ring, 74Integral representation, 64

theory, 66Integrals

Lebesgue, 27Riemann, 27

Integrated intensity, 544, 546–547Integration

by parts, 31Lebesgue’s theory of, 29of anomalous-dispersion techniques with

direct methods, 232of distributions, 32of isomorphous replacement techniques with

direct methods, 232Intensities of diffraction beams, 308Intensities of plane waves

in reflection geometry, 545in transmission geometry, 541

Intensities of reflected and refracted waves, 542Intensity differences, 266Intensity statistics, 97Interaction between symmetry and

decomposition, 73Interaction between symmetry and

factorization, 73

Interaction matrix, 240Interaction of electrons with matter, 277Interaction of X-rays with matter, 534Interatomic covariance, 354Interatomic vectors, 61Interband excitation, 278Interference function, 62

spherical, 251Interferometry, neutron, 563Intermolecular correlations, 437Internal disc symmetries, 292Internal modes, 402Interpolation formula, 46Interpolation kernel, 85Interpretation of E maps, 228Intraband excitation, 278Intramolecular energy terms, 390Intrinsic component of translation part of space-

group operation, 100Invariance of L2, 36Inverse Fourier transform, 8Inverse Fourier transformation, 35, 40Inverse rotation operator, 99Ionic crystal, electrostatic energy of, 385Irreducible matrix group, 163Irreps, 162Ising model, 64Isometry, 36Isometry property, 36Isomorphism, 163, 271, 273

lack of, 245Isomorphous addition, 264Isomorphous crystals, 265Isomorphous differences, 270, 273Isomorphous heavy-atom derivatives, 478Isomorphous replacement, 242, 264

difference Patterson functions, 242, 244multiple, 271single, 244, 265techniques, integration of direct methods

with, 232Isomorphous synthesis, 265Isotropic harmonic oscillator, three-

dimensional, 18Isotropic temperature factors, 68Isotropy subgroups, 64, 67Iteration method of reconstruction, 318Iterative low-pass filtering, 473

Jacobians, 33, 49Joint probability distribution of structure

factors, 97Juxtaposition of chains, 476

k vectorgeneral, 165special, 165uni-arm, 167

Kernels, 55of Fourier transformations, 35

Kikuchi-line contrast, 446Kikuchi-line form factor, 446Kinematical approximation, 58, 279–280, 309,

326, 481, 561Kinematical diffraction

formulae, 281intensities, 281

Kinematical R factor, 483Kinematical scattering, 279Klug peaks, 255Known structural fragment, use of, 260,

321

585

SUBJECT INDEX

Page 16: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Kronecker symbol, 5‘Kubic Harmonics’, 14

LACBED (large-angle convergent-beamelectron diffraction), 285

Lagrange multiplier, 87, 97, 356Lagrange’s theorem, 64LALS, 476Lamellar domains with long-range order, 416–

417Landau–Peierls effect, 453–454Langmuir troughs, 482Languages

computer-algebraic, 106numerically and symbolically oriented, 102

Large-angle convergent-beam electrondiffraction (LACBED), 285

Large values of �ot, 549Larmor precession, 558Lattice, 40

base-centred, 83body-centred, 83centred, 68composite, 385, 388direct, 2, 5, 41, 106, 164, 386face-centred, 83non-primitive, 67non-standard, 40non-standard period, 42one-dimensional, 454period, 41, 59, 64primitive, 66reciprocal, 2, 5, 42, 46, 59, 106, 164residual, 46rhombohedral, 83standard, 40translation, 163

Lattice disorder, 471correlated, 472

Lattice distributions, 42, 45–46Lattice-dynamical model, 400Lattice energy, Coulombic, 385, 389Lattice mode, 66Lattice-parameter mapping, 534Lattice plane, 2, 350Lattice sum, 43Lattice transform, 386Lattice-translation subgroup, 108Lattice type, 108Laue case, 538Laue circle patterns, 291Laue equations, 2Laue groups, 100Laue point, 538Laue scattering, 432Laue techniques, monochromatic, 439Laue zones, higher-order, 292Layer lines, continuous diffraction on, 473Lead, 269Least resolvable distance, 284Least-squares adjustment of observed

positions, 356Least-squares determination of phases, 229Least-squares method, multivariate, 88Least-squares plane, 353

proper, 355Least-squares refinement, 270Lebesgue integral, 27Lebesgue’s theory of integration, 29LEED (low-energy electron diffraction), 306Left action, 64–65, 68, 74Left cosets, 64

Left representation, 68Leibnitz’s formula, 387Length

of a function, 27of a vector, 348

Lennard–Jones potential, 406L’Hospital’s rule, 387Libration, 19Libration tensor, 19Librational–librational correlations, 437Lifchitz’s reformulation, 91Lifshitz point, 455Lindeberg–Levy version of the central-limit

theorem, 199Line drawings, 375Linear absorption coefficient, 535Linear change of variable, general, 35Linear forms, 30Linear functionals, 28Linear transformation, 7Linearity, 35, 49Linearization formulae, 70Linearly semidependent phases, 212Linked-atom least-squares (LALS) system, 476Liouville’s theorem, 36Liquid crystals, 449Lissajous curve, 96Little co-group, 165, 167Little group, 165Local ordering, 429Locally integrable functions, 30

distributions associated with, 30Locally summable function of polynomial

growth, 39Location-dependent component of translation

part of space-group operation, 100Locked rotation function, 255Logical connectivity, 377Lone pairs, 384Long-range order (LRO), 415, 450

positional, 449Longitudinal disorder, 428Lorentz point, 537Low-angle scattering, 419Low-energy conformational changes, 480Low-energy electron diffraction (LEED), 306Lp spaces, 27LRO (long-range order), 450

positional, 449Lyotropic phase, 451Lysozyme, 243

MACCS, 384Macromolecular crystallography, 264

direct methods in, 231Macromolecular fibre structures, 479Macromolecular refinement techniques, 92Macromolecular structures, direct determination

of, 481MAD (multiwavelength anomalous

diffraction), 233Madelung constant, 385Magic-integer methods, 228Magnetic domains, 564Magnetic scattering, 11, 559Main reflections, 488Manganese, 268Many-beam case, 536Mapping, 26Mathematical theory of Fourier

transformation, 25Matrices of mixed scalar products, 8

Matrix algebra, 252Matrix groups, 163

completely reducible, 163equivalent, 163irreducible, 163reducible, 163unitary, 163

Matrix part, 163Matrix representation, 99

of discrete Fourier transform, 49Maximum determinant rule, 223Maximum entropy, 97, 325Maximum-entropy distributions, 36

of atoms, 97Maximum-entropy methods, 94, 230Maximum-entropy theory, 97Maximum function, 241Maximum likelihood, 325Maxwell’s equations, 534, 550MBD (microbeam diffraction), 306MDIR (multidimensional isomorphous

replacement), 478MDKINO, 381Mean-field theory, 451Mean values, 351Measurement of diffuse scattering, 438Meijer’s G function, 196Mercury, 269Mesomorphic structures, scattering from, 449Metric

direct, 4reciprocal, 4

Metric space, 26, 28Metric tensors, 4–5Metrizability, 26Metrizable topology, 28Micelle, 449Microanalysis, 277–278Microbeam diffraction (MBD), 306Microdiffraction, 447–448MIDAS, 381Middle of reflection domain, 539Minimal domain, 166Minimization function, 271Minimum function, 241MIR (multiple isomorphous replacement), 271

phases, 250MIRAS (multiple isomorphous replacement with

anomalous scattering), 233Mirror image, 267Mirror plane

horizontal, 289vertical, 289

MM2/MMP2, 384MMS-X, 382Modified peaklist optimization, 231Modified tangent formula, 229Modulated phases, 452Modulated smectic-A phase, 455Modulated smectic-C phase, 455Modulated structure, 487Modulation function, 487Module, 74

over a group ring, 25Molbuild, 384Molecular averaging by noncrystallographic

symmetry, 85Molecular axis, 467Molecular dynamics, 384Molecular-dynamics refinement, 479Molecular envelope, 32, 61, 85–86Molecular mechanics, 379

586

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Page 17: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Molecular model building, 476Molecular modelling, 6, 360Molecular orientational order, 449Molecular origin, 261Molecular replacement, 235, 248, 260–261,

274real-space, 261

Molecular rotation, 460Molecular structure, position of a known, 259Molecular surfaces, hydrophobic and

electrostatic properties of, 380Moment-generating functions, 36, 95Moment-generating properties, 94

of �� , 63Moments of a distribution, 94Monochromatic Laue techniques, 439Monochromators, 563

polarizing, 560Monoclinic family, 103Monoclinic groups, 82Monoclinic space groups, 103Mosaic crystals, 534Mosaic model, 561Mosaicity, 306Motif, 41–43Motif distribution, 59Multicritical point, 455Multidimensional algorithms, 55Multidimensional Cooley–Tukey

factorization, 55–56, 74Multidimensional factorization, 55Multidimensional Good factorization, 76Multidimensional isomorphous replacement

(MDIR), 478Multidimensional prime factor algorithm, 56Multidimensional structure, 380Multi-index, 27, 36–37Multi-index notation, 27Multiple diffuse scattering, 445Multiple isomorphous replacement (MIR),

271phases, 250

Multiple isomorphous replacement withanomalous scattering (MIRAS), 233

Multiple reciprocal cell, 106Multiple scattering, 443Multiple-wavelength method, 274Multiplexing, generalized, 82Multiplexing–demultiplexing, 79Multiplication by a monomial, 26Multiplication of distributions, 32Multiplicative group of units, 53Multiplicative reindexing, 57Multiplicity, 101, 167Multiplicity corrections, 242Multiplier functions, 40Multipliers, 42

Lagrange, 87, 97, 356Multi-Slater determinant wavefunction, 18Multislice, 284, 555

calculations, 447computer programs, 447

Multislice recurrence relation, 555Multivariate Gaussian, 43Multivariate Hermite functions, 37, 92Multivariate least-squares method, 88Multiwavelength anomalous diffraction

(MAD), 233Mutually reciprocal bases, 2–3

computational and algebraic aspects of, 4Mutually reciprocal triads, 2Myoglobin, 242, 264, 269

n-dimensional embedding method, 487n-shift rule, 90n-torus

non-standard, 41standard, 40

Natural coordinate system, 348Negative peaks, 243Nematic order

biaxial, 452uniaxial, 452

Nematic phase, 449, 451Nested algorithms, 58Nested neighbourhood principle, 218Nesting, 57

of Winograd small FFTs, 56Net distortions, 429Neutron absorption, 558Neutron beams, focusing of, 563Neutron crystallography, 275Neutron diffraction, 463

dynamical theory of, 557Neutron flight time, 563Neutron interferometry, 563Neutron refraction, 557Neutron scattering

effect of external fields, 562inelastic, 404very-small-angle, 563

Neutron scattering lengths, 275Neutron spin, 558Neutron topography, 564Neutrons, 275

thermal, 275Nodes of standing waves, 541Non-absorbing case, 536Non-absorbing crystals, 544–546

comparison of dynamical and geometricaltheory, 547

Nonbonded interatomic distances, 476Non-classical crystallography, 292Noncrystalline fibres, 467, 469, 474Noncrystallographic asymmetric unit, 244Noncrystallographic rotation elements,

translational components of, 248Noncrystallographic rotational symmetry, 250Noncrystallographic symmetry, 62, 248–249

apparent, 255molecular averaging by, 85phase improvement using, 261proper, 248

Noncrystallographic symmetry element, positionof, 259–260

Non-cyclic (odd) permutation ofcoordinates, 102–103, 107

Non-ideal distributions, 199, 203Non-ideal probability density functions, 208

of |E|, 200Non-independent variables, 195Non-linear transformations, 254Non-periodic system, 414Non-primitive lattice, 66–67Non-spin-flip scattering lengths, 559Non-standard coordinates, 41Non-standard lattice, 40Non-standard n-torus, 41Non-standard period lattice, 42Norm

Euclidean, 26on a vector space, 28

Normal equations, 88Normal matrix, 90Normal subgroup, 64–65

Normalization constant, 272, 274Normalized structure factors, 215, 227, 236Normalizer, 65Normed space, 28

complete, 28Notation, multi-index, 27Nuclear matter, density of, 2Numerical computation of discrete Fourier

transform, 49Numerically oriented languages, 102Nussbaumer–Quandalle algorithm, 57

O, 384Oblique projections, 317Observation plane, 310Observational equations, 88Obverse setting, 106Occupancy factors, 271Occupied natural spin orbitals, 18Odd (non-cyclic) permutation of

coordinates, 102–103, 107Offset, 51One-centre orbital products, 18One-centre terms, 18One-dimensional lattice, 454One-particle potential (OPP) model, 23One-phase structure seminvariants, first

rank, 224One-wavelength techniques, 233Operational calculus, 28Operations on distributions, 31OPP (one-particle potential) model, 23Optic modes, 402Optical diffractometer, 314Optical isomers, 267Optical rotation, 268Optical transforms, 418Optimal defocus, 311Orbit decomposition, 64, 67, 69–70

formula, 64, 68Orbit exchange, 65, 72–73Orbit of k, 165Orbital products, 17

one-centre, 18two-centre, 18

Orbits, 64, 67–68Order parameter, 451Order–disorder, 417Orientational disorder, 436Origin-shift vector, 107Origin-to-plane distance, 353, 356–357Origin(s)

allowed (permissible), 210definition, 227molecular, 261removal from a Patterson function, 236selection, 238specification, 210

Ornstein–Zernike correlation function, 425ORTEP, 380Orthoaxial projection, 316Orthogonal matrices, 361Orthogonalization, 252Orthographic projection, 369–370Orthorhombic groups, 82Orthorhombic space groups, 102Overlap between two Pattersons, 250

Ps(u) function, 246Pair probability, 415

conditional, 415Pairwise sum, 385

587

SUBJECT INDEX

Page 18: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Paley–Wiener theorem, 36, 98Parabolic equation, 552Parallel processing, 58Parity of the hkl subset, 103Parseval–Plancherel property, 49Parseval–Plancherel theorem, 36, 45Parseval’s identity, 61, 63Parseval’s theorem, 34, 88, 386

with crystallographic symmetry, 69Partial dislocations, 460Partial net atomic charges, 385Partial sum of Fourier series, 44Partially bicentric arrangement, 208Partially crystalline fibres, 471Partially reflected wavefield, 547Partially transmitted wave, 547Patterson function(s), 61, 70, 235, 271, 444,

475anomalous-dispersion, 248contraints on interpretation of, 248cylindrically averaged, 475deconvolution of, 240difference, 244–245generalized, 409interactions in, 235isomorphous difference, 244origin removal, 236overlap between two, 250second kind, 238sharpened, 236superposition, 241symmetry of, 235three-dimensional, 476

Patterson map, automated search, 321Patterson peaks, 235Patterson search, 245Patterson synthesis, 265, 268–269Patterson techniques, 6, 275Patterson vector interactions, 239Peaklist optimization, modified, 231Pendellosung, 281, 539, 543–544, 562–563

spherical-wave, 549Pendellosung distance, 540Penetration depth, 546Penrose rhomb, 505Penrose tiling, 504Period decimation, 47Period lattice, 41, 59, 64

non-standard, 42Period matrix, 42Period subdivision, 46Periodic boundary conditions, 400Periodic continuation, 447Periodic delta functions, 206Periodic density function, 99Periodic distributions, 41, 43, 59

and Fourier series, 40Fourier transforms of, 41

Periodic lamellar domains, 413Periodic weak phase objects, 313Periodicity, 163

crystal, 59Periodicity requirement, 8Periodization, 26, 42, 51

and sampling, duality between, 42Permissible origins, 210Permissible symmetry, 99Permutation of coordinates

cyclic (even), 102–103, 107non-cyclic (odd), 102–103, 107

Permutation operators, 103Permutation tensors, 349

Perpendicular (internal, complementary)space, 487

Perspective, 368–370Perturbation theory, first-order, 353Phase angles, 264–265Phase change, 268Phase circles, 265Phase determination, 265

ab initio, 261direct, in electron crystallography, 320statistical theory of, 96

Phase-determining formulae, 217Phase evaluation, 264, 272, 275Phase extension, 261Phase-grating approximation, 556Phase improvement, 261

using noncrystallographic symmetry, 261Phase information, 274

from electron micrographs, 322Phase invariant sums, 322Phase-object approximation, 280, 445Phase problem, 474

Bayesian statistical approach, 98Phase relationships

quartet, 220quintet, 222

Phase restriction, 68Phase shift, 26, 51Phase transformations, polytypic, 425Phases

assignment of one or more, 227best, 272from multiple isomorphous replacement, 250least-squares determination of, 229linearly semidependent, 212refinement of, 229

Phason flips, 507Phenomenological absorption coefficients, 281PHIGS (Programmers’ Hierarchical Interactive

Graphics System), 361Phonon absorption, 404Phonon dispersion relations, 405Phonon emission, 404Phonon scattering, 446Phonons, 400Physical (external, parallel) space, 487Picture space, 368, 370, 376Pipelining, 58Pisot numbers, 491Pixel, 374Plancherel’s theorem, 40Plane of polarization, 268Plane-wave dynamical theory, 538Planes, 349

Gaussian, general, 356least-squares, 353least-squares, proper, 355

Plasmon scattering, 444Plasmons

bulk, excitation of, 278surface, 278

PLUTO, 381Point density, 505Point groups, 163

average multiples for, 193closed, 248holohedral, 166

Point-group determination, 292Point-group operators, 100, 108Point-group symmetry of reciprocal lattice, 99Point-group tables, 290Poisson kernel, 45

Poisson summation formula, 42Polar space, 253Polarization, plane of, 268Polarization vector, 11, 558Polarizing monochromators, 560Polycrystal electron-diffraction patterns, 308Polycrystalline fibres, 467, 469, 474Polycrystalline materials, diffuse scattering

from, 441Polymer crystallography, 466Polymer electron crystallography, 466Polynomial growth

functions of, 40locally summable function of, 39

Polynomial transforms, 57Polynomials

Chinese remainder theorem for, 54, 77cyclotomic, 54

Polyoma virus, 262Polypeptide fold, chemical correctness of, 261Polytype, 295Polytypic phase transformations, 425Population parameter, 14Position of a known molecular structure, 259Positional order, long-range, 449Positive peaks, 243Positivity criterion, 275Potassium permanganate, 268Potential energy of a crystal, 401Potential-energy minima, 379Poynting vector, 551Pretransitional lengthening of correlation

lengths, 453Prime factor algorithm, 50–51

multidimensional, 56Primitive basis, 163Primitive coefficients, 167Primitive lattice, 66Primitive root mod p, 53Principal axes, 113Principal-axis convergent-beam electron-

diffraction pattern symmetries, 296Principal central projections and sections, 62Principal projections, 71Principal sections and projections, 63Probability

a posteriori, 423a priori, 415

Probability densities, convolution of, 94Probability density distributions, 192

ideal, 195Probability density functions, 199

non-ideal, 208of |E|, non-ideal, 200

Probability density of samples for images, 315Probability theory, 94

analytical methods of, 94Probability trees, 424Processing X-ray fibre diffraction data, 472Product function, 241Programmers’ Hierarchical Interactive Graphics

System (PHIGS), 361Projected charge-density approximation, 283Projected glide line, 289Projection approximation, 286, 553Projection operator, 554Projection(s), 26

and sections, principal central, 62bounded, 63, 85centrosymmetric, 242oblique, 317of symmetric objects, 317

588

SUBJECT INDEX

Page 19: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Projection(s)orthoaxial, 316orthographic, 369–370tilt, 321

Projector, 65Prolate spheroidal wavefunctions, 38Propagation direction, 537Propagation equation, 534Proper least-squares plane, 355Proper noncrystallographic symmetry, 248Proper rotation, 108, 113Protein crystallography, 268Protein crystals, 269Proteins

ab initio direct phasing of, 231electron crystallography of, 321

PRXBLD, 384Pseudo-distances, 28Pseudorotation, 379Pseudotranslational symmetry, 220Punched-card machines, 71Pure imaginary transforms, 80

Quartet phase relationships, 220Quasilattice, 491Quasi-long-range order (QLRO), 450Quasimoments, 22Quasi-normalized structure factors, 216Quasiperiodic order, 498Quintet phase relationships, 222

R factorfibre diffraction, 480kinematical, 483

Rader algorithm, 50Rader/Winograd algorithms, generalized, 83Rader/Winograd factorization, crystallographic

extension of, 76Radial dependence of atomic electron

distribution, 12Radial functions, 14Radiation damage, 278Radius of integration, 251Radon measure, 30Radon operator, 318Random copolymers, 470Random-start method, 229Random-walk problem, 96

exact solution, 203Rank of tensor, 5Rapidly decreasing functions, 37–38Raster-graphics devices, 374–375Rational approximant, 491Real antisymmetric transforms, 82Real crystal, 163Real-space averaging, 261–262

of electron density, 250, 261Real-space interpretation of extinction

conditions, 291Real-space molecular replacement, 261Real-space translation functions, 260Real spherical harmonic functions, 14Real symmetric transforms, 81Real-valued transforms, 79Real waves, 548Reciprocal axes, 348Reciprocal Bravais lattice, 105Reciprocal cell, multiple, 106Reciprocal lattice, 2, 5, 42, 46, 59, 106, 164

point-group symmetry of, 99weighted, 99–100weighted, statistical properties of, 190

Reciprocal-lattice sum, 388Reciprocal-lattice vectors, 386Reciprocal metric, 4Reciprocal space, 2, 386

symmetry in, 104Reciprocal-space group, 162, 165, 176Reciprocal-space procedures, 242Reciprocal-space representation of space

groups, 99Reciprocal unit-cell parameters, 4Reciprocity, 36

property, 35relationship, 282theorem, 37, 40, 42, 59, 98

Reconstructionalgebraic method, 318back-projection method, 318by Fourier transformation, 318direct, methods of, 317iteration method, 318three-dimensional, 315three-dimensional, general case, 319

REDUCE, 106Reduced orbit, 69Reducibility of the representation, 67Reducible matrix group, 163Reference bases, choice of, 7Refinement

least-squares, 270molecular-dynamics, 479of phases, 229restrained least-squares, 479

Reflected intensity, 547Reflecting power, 543–544Reflection case, 539Reflection conditions, 68Reflection domain, middle of, 539Reflection geometry, 538, 540Reflection high-energy electron diffraction

(RHEED), 306Reflections

main, 488satellite, 488substructure, 216superstructure, 216

Refraction, neutron, 557Refractive index, 278Regularization, 34

by convolution, 41Reindexing

additive, 57multiplicative, 57

Relationship between structure factors ofsymmetry-related reflections, 100

Relationships between direct and reciprocalbases, 3

Relatively prime integers, 350Relativistic effects, 279Representation, irreducible, 163Representation domain, 166Representation method, 218Representation of space groups in reciprocal

space, 99Representation of surfaces

by dots, 375by lines, 375by shading, 375

Representation operators, 67, 73Representation property, 64Representative operators of a space group, 108Repulsion energy, 385Residual lattice, 46

Resolutionimage, 284instrumental, 285

Restacking, 461Restrained least-squares refinement, 479RHEED (reflection high-energy electron

diffraction), 306Rhombohedral lattice, 83Riemann integral, 27Riemann–Lebesgue lemma, 35Right action, 64–65Right cosets, 64Right representation, 64Rigid-body motion, 19Rigid-body superposition, 364Rigid rotation, 8Ring systems

condensed, 379fused, 384

Rings, 384Robertson’s sorting board, 71Rocking curve, 541, 545, 562

width at half-height, 544width of, 540

Rocking microbeam diffraction (RMBD), 306Root-mean-square error, 273Rotation, 368, 371

improper, 108, 113molecular, 460optical, 268proper, 108, 113rigid, 8screw, 19X-fold, 288

Rotation axes, improper, 248Rotation functions, 250

fast, 255locked, 255

Rotation-function Eulerian space groups, 256Rotation matrix, 255, 361

trace of, 253Rotation operator, 6

inverse, 99Rotation part of space-group operation, 100Rotation vector, 363Rotational filtering, 314Rotational structure (form) factor, 437Rotational symmetry, noncrystallographic, 250Roto-inversionary axes, 288Row–column method, 55

Saddlepointapproximation, 94–95equation, 97expansion, 96method, 36, 97

SAED (selected-area electron diffraction), 285,482

Sampling, 26, 42and periodization, duality between, 42considerations, 92theorems, 61

Satellite reflections, 414, 488Satellite tobacco necrosis virus, 250Sayre’s equation, 84, 225Sayre’s squaring method, 87Scalar products, 5, 348

mixed, matrices of, 8Scale, 368Scale factors, 269Scaling of heavy-atom-derivative data sets, 246Scaling symmetry, 498

589

SUBJECT INDEX

Page 20: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Scanning microbeam diffraction (SMBD), 306Scanning transmission electron microscope

(STEM), 282Scattering

classical Thomson, 10coherent, 404Compton, 405critical, 453diffuse, 443forward, 552from mesomorphic structures, 449incoherent, 404incoherent inelastic, 404inelastic, 278, 443inelastic neutron, 404kinematical, 279Laue, 432low-angle, 419magnetic, 11, 559multiple, 443of neutrons by thermal vibrations, 404of X-rays by thermal vibrations, 402phonon, 446plasmon, 444thermal diffuse, 278X-ray, 58X-ray, elastic component of, 10X-ray, inelastic component of, 10

Scattering cross sections, 557Scattering diagrams, 556Scattering factors

atomic, 10, 265complex, 246dynamical, 446spherical atomic, 10

Scattering lengths, 557atomic, 11neutron, 275non-spin-flip, 559spin-flip, 559

Scattering matrix method, 312Scattering operator, 15Scattering power, 267Scherzer defocus, 283

conditions, 311Scherzer phase function, 311Schrodinger equation, 278Schur’s lemma, 67, 73Scrambling, 51Screen coordinates, 368, 370Screw correlations, 21Screw rotation, 19Screw shifts, 429Script, 384Search directions, 87Second Bethe approximation, 280Second-order Born approximation, 11SECS, 384Section, 26Sections and projections, 26, 62

duality between, 40principal, 63

Selected-area electron diffraction (SAED), 285,482

Selection rules, 93Self-energy terms, 385Self-Patterson, 92

vectors, 251Self-rotation function, 92Self-seeding, 482Self-vectors, 242Semi-direct product, 65

Semi-norm on a vector space, 28Semi-reciprocal space, 553Series-termination errors, 60, 84, 92Seven-beam approximation, 556Shadows, 376Shake and Bake, 231Shannon interpolation, 26, 48Shannon interpolation formula, 46, 85Shannon interpolation theorem, 61Shannon sampling criterion, 46, 63, 85Shannon sampling theorem, 45, 61, 262Sharpened Patterson functions, 236Shift of space-group origin, 104Shift property, 49, 61Short cyclic convolutions, 54Short-range order (SRO), 415, 450

correlation functions, 429in multi-component systems, 432parameters, 444, 447Warren parameters, 431

Sign conventions for electron diffraction, 279–280

Simulated annealing, 474Sine strips, 71Single-crystal electron-diffraction patterns, 306Single isomorphous replacement (SIR), 244,

265difference electron density, 244phasing, 244

Single isomorphous replacement with anomalousscattering (SIRAS), 233

SIR (single isomorphous replacement), 244difference electron density, 244phasing, 244

SIRAS (single isomorphous replacement withanomalous scattering), 233

Site-symmetry group, 167Site-symmetry restrictions, 14Size distribution, 415Size effect, 432Skew-circulant matrix, 53Sliding filter, 378Small-angle scattering approximation, 278Small values of �ot, 548SMBD (scanning microbeam diffraction), 306Smectic films, 456Smectic-A phase, 449, 452–453

modulated, 455Smectic-B phase, 449Smectic-C phase, 453

modulated, 455Smectic-D phase, 464Smectic-F phase, 458Smectic-I phase, 458Sobolev space, 40Software, Hall symbols in, 107Solids

electron band theory, 537theory of, 9

Solution of dynamical theory, 540Solvable space groups, 66Solvent flattening, 84Solvent regions, 62Sound velocities, 406Southern bean mosaic virus, 250, 262Space groups, 66, 163, 264

cubic, 102Eulerian, 254finite, 164hexagonal, 103holosymmetric, 166in reciprocal space, 150

Space groupsmonoclinic, 103orthorhombic, 102reciprocal-space representation of, 99representative operators of, 108rotation-function, 254solvable, 66symmorphic, 66, 163tetragonal, 103triclinic, 102trigonal, 103

Space-group algorithm, 104Space-group analyses of single crystals, 291Space-group determination by convergent-beam

electron diffraction, 285Space-group notation, explicit-origin, 112Space-group operation, 100

intrinsic and location-dependent componentsof translation part, 100

rotation part, 100translation part, 100

Space-group origin, shift of, 104Space-group-specific Fourier summations, 101Space-group-specific structure-factor

formulae, 101Space-group-specific symmetry factors, 99Space-group symbols

computer-adapted, 102, 106, 112explicit, 107–109Hall, 107, 112, 115Hermann–Mauguin, 103

Space-group symmetry, 475Space-group tables, 104Space-group types, 66

affine, 163crystallographic, 163

Special Harker planes, 240Special k vector, 165Special position, 67

condition, 67Special reflection, 68Spectrometer, triple-axis, 405Specular reflection, 456Spherical angles, 252Spherical atomic scattering factor, 10Spherical atoms, 101Spherical Dirichlet kernel, 60, 84Spherical Fejer kernel, 60Spherical harmonic expansion, atom-centred, 14Spherical harmonic functions, real, 14Spherical harmonics, 258Spherical interference function, 251Spherical polar coordinates, 252Spherical viruses, 317Spherical-wave Pendellosung, 549Spin-flip scattering lengths, 559Spin orbitals, occupied natural, 18Spiro links, 384Spot boundaries, 474Squarability criterion, 275Square-integrable functions, 40Square-summable sequences, 45Squaring method equation, 84SRO (short-range order), 415, 450

correlation functions, 429in multi-component systems, 432parameters, 444, 447Warren parameters, 431

Stacked transformations, 373Standard basis of �n, 40Standard coordinates, 41, 59, 67Standard Gaussian function, 37, 39

590

SUBJECT INDEX

Page 21: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Standard lattice, 40Standard n-torus, 40Standard uncertainty of distance from an atom to

a plane, 355Standing waves, 541

anti-nodes of, 541nodes of, 541

Stararms of, 165of k, 165

Starting models, 476Statistical properties of the weighted reciprocal

lattice, 190Statistical theory of communication, 96Statistical theory of phase determination, 96Statistics

crystallographic, 199structure-factor, 102

Status of centrosymmetry, 108Steepest descents, Booth’s method, 89STEM (scanning transmission electron

microscope), 282Stereochemical information, 474Stereoviews, 370Stirling’s formula, 97Structural connectivity, 377Structure amplitude, 10Structure determination by X-ray fibre

diffraction analysis, 474Structure factors, 6, 8, 10, 59, 264

calculation of, 68for one-phonon scattering, 403Fourier–Bessel, 468from model atomic parameters, 86geometric, 101, 120in terms of form factors, 60inequalities among, 217joint probability distribution of, 97normalized, 215, 227, 236quasi-normalized, 216tables of, 102, 120trigonometric, 101, 120trigonometric, even absolute moments of, 201trigonometric, moment of, 200unitary, 216via model electron-density maps, 86

Structure-factor algebra, 70, 97–98Structure-factor formalism, generalized, 23Structure-factor formulae, space-group-

specific, 101Structure-factor statistics, 102Structure invariants, 210Structure seminvariants, 211

algebraic relationships, 224one-phase, 224, 227two-phase, 225

Structure theorem, 34for distributions with compact support, 41,

45Sturkey’s solution, 553Subcentric arrangement, 208Subdivision and decimation of period lattices,

duality between, 46Sublattice, 46Subspace sectioning, 379, 383Substitutional disorder, 447, 471Substitutional order, 446Substructure reflections, 216Sum function, 241Sum of images, 240Summable functions, 27Summation convention, 5

Summation problem in crystallography,45

Superposition methods, 240Superposition of Patterson functions,

241Superstructure, 417Superstructure reflections, 216Support, 26

compact, 26, 36, 43of a distribution, 31of a tensor product, 33

Support condition, 34, 43generalized, 34

Surface effects, 455Surface phase, 459Surface plasmons, 278Surfaces

atomic, 486, 492dispersion, 537, 555, 560fractal atomic, 493representation by dots, 375representation by lines, 375representation by shading, 375van der Waals, 375, 381

Sybyl, 384Symbolic programming techniques, 99Symbolically oriented languages, 102Symmetric Bragg condition, 287Symmetric objects, projections of, 317Symmetric rectangular density modulation,

497Symmetry, 162, 253, 373

conjugate, 35, 39conjugate and parity-related, 79crystal, 64crystallographic, 248cyclic, 77dihedral, 77effects on Fourier image, 99helical, 93, 317, 467, 475helical, approximate, 469Hermitian, 60, 69, 79in Fourier space, 105in reciprocal space, 104noncrystallographic, 62, 248–249noncrystallographic, molecular averaging

by, 85noncrystallographic, proper, 248noncrystallographic, rotational, 250of Patterson function, 235permissible, 99pseudotranslational, 220scaling, 498

Symmetry elementsextinction rules for, 291individual, observation in CBED

patterns, 288Symmetry factors, 101

space-group-specific, 99tables of, 99

Symmetry-generating algorithm, 107Symmetry group, 162Symmetry operation, 162Symmetry property, 38Symmetry-related reflections, relationship

between structure factors of, 100Symmorphic space groups, 66, 163Synchrotron radiation, 264, 274Systematic absences, 68, 105Systematic errors, 351Szego’s theorem, 43, 63, 98

Tangent formula, 218, 274application of, 227modified, 229weighted, 220

TDS (thermal diffuse scattering), 278, 400, 407,443

TEM (transmission electron microscope), 282Temperature factors, 68, 269

anisotropic, 69artificial, 87, 92atomic, 18isotropic, 68

Tempered distributions, 36, 38, 40, 45, 68definition and examples of, 39Fourier transforms of, 38–39

Tensor formulation of vector product, 6Tensor-algebraic formulation, 2, 5Tensor product, 27, 33, 50

of distributions, 33of matrices, 49, 55–56structure of, 72support of, 33

Tensor product property, 35, 63, 93of a Fourier transform, 71

Tensors, 5anisotropic displacement, 6antisymmetric, 6libration, 19metric, 4–5permutation, 349rank of, 5translation, 19translation, libration and screw-motion, 6

Test-function spaces, 29Test functions, 38Tetragonal family, 103Tetragonal groups, 83Tetragonal space groups, 103Text processing, 106Texture electron-diffraction patterns, 307,

326THEED (transmission high-energy electron

diffraction), 306Theory of distributions, 25, 28Theory of solids, 9Thermal diffuse scattering (TDS), 278, 400,

407, 443Thermal fluctuations, 452Thermal neutrons, 275Thermal streaks, 447Thermotropic phase, 451Thick crystals, 312, 545Thin crystals, 546

comparison of geometrical and dynamicaltheory, 545

Thin films, 457crystal defects in, 445

Thomson scattering, classical, 10Three-beam approximation, 556Three-beam inversion, 556Three-dimensional electron-diffraction

data, 324from a single crystal orientation, 484from two crystal orientations, 484

Three-dimensional Hermite polynomials, 22Three-dimensional isotropic harmonic

oscillator, 18Three-dimensional Patterson function, 476Three-dimensional reconstruction, 315

general case, 319Three-dimensional structure determination by

electron crystallography, 323

591

SUBJECT INDEX

Page 22: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Three-generator symbol, 108Through-focus series method, 312Tie point, 536Tilt projections, 321Tilted hexatic phase, 458Toeplitz determinants, 43, 63Toeplitz forms, 43, 63

asymptotic distribution of eigenvalues of, 43,63

Toeplitz matrices, 44Toeplitz–Caratheodory–Herglotz theorem, 43Topography, neutron, 564Topological dual, 30–31, 38–39Topological vector spaces, 28Topology, 28, 38

general, 28in function spaces, 28metrizable, 28not metrizable, 30on �(�), 30on �k(�), 30on �(�), 29

Torsion angles, 350Total cross section, 11Total-reflection domain, 546

width of, 541, 546Trace of rotation matrix, 253Transfer function, 49

of lens, 282Transformation properties of direct and

reciprocal base vectors and lattice-pointcoordinates, 100

Transformationsaffine, 105compound, 371direct-space, 104linear, 7non-linear, 254of coordinates, 5, 7, 33stacked, 373to a Cartesian system, 3viewing, 368–369, 371–372, 374viewport, 368, 370windowing, 368

Transformed variance–covariance matrix, 351Transforms

complex antisymmetric, 80complex symmetric, 80Hermitian-antisymmetric, 80of an axially periodic fibre, 93of delta functions, 39optical, 418polynomial, 57pure imaginary, 80real antisymmetric, 82real symmetric, 81real-valued, 79

Translate, 26Translation, 19, 26, 368, 371

part of space-group operation, 100part of space-group operation, intrinsic and

location-dependent components of, 100Translation, libration and screw-motion

tensors, 6Translation functions, 92, 258

general, 258real-space, 260

Translation lattice, 163Translation tensor, 19Translation vector, 249Translational components of noncrystallographic

rotation elements, 248

Translational displacement, 19Translational invariance, 554Translations, conversion to phase shifts, 35Transmission case, 538Transmission electron microscope (TEM),

282Transmission geometry, 538–540

intensities of plane waves in, 541Transmission high-energy electron diffraction

(THEED), 306Transposition formula, 75

for intermediate results, 72Triads, mutually reciprocal, 2Triangular inequality, 28Triclinic groups, 82Triclinic space groups, 102Trigonal groups, 83Trigonal space groups, 103Trigonometric moment problem, 43Trigonometric structure factors, 101, 120

even absolute moments of, 201moment of, 200

Trigonometric structure-factor expressions,vectors of, 96

Triple-axis spectrometer, 405Triple point, 455Triplet relationships using structural

information, 219Triplets, search of, 227Triply periodic, 535Tunability, 275Twiddle factors, 51, 55–56, 58, 75Twins, 292Two-beam approximation, 280, 553Two-beam case, 536Two-beam dynamical approximation, 326Two-beam dynamical diffraction formulae,

281Two-centre orbital products, 18Two-centre terms, 18Two-dimensional disorder, 425Two-dimensional hexatic phase, 457Two-phase structure seminvariants, first

rank, 225Two-wavelength method, 275Type of rotation (proper or improper), 108

Uni-arm k vector, 167Uniaxial nematic order, 452Uniformity, assumption of, 199, 205Uniformizable space, 28Unit cell, 165–166Unit-cell parameters

direct, 4reciprocal, 4

Unit cube, 41Unitary matrix group, 163Unitary structure factors, 216Unitary transformations, 36Unscrambling, 75Uranium, 269

Valence density, 13van der Waals surfaces, 375, 381Van Hove correlation functions, 405Variance, 350Variance–covariance matrix, 350

transformed, 351Variances, 354Vector interactions in a Patterson map,

239Vector lattice, 163

Vector machines, 375Vector map, 235Vector overlap, 242Vector processing, 58Vector product, 349

components of, 349tensor formulation of, 6

Vector radix Cooley–Tukey algorithm, 55Vector radix FFT algorithms, 56Vector relationships, 349Vector-search procedures, 241Vector space

complete, 27norm on, 28semi-norm on, 28topological, 28

Vectorsangle between two, 348components of, 5cross-Patterson, 251four-dimensional, 366interatomic, 61length of, 348of trigonometric structure-factor

expressions, 96origin-shift, 107polarization, 11, 558Poynting, 551rotation, 363self-Patterson, 251translation, 249

Vertical mirror plane, 289Very-small-angle neutron scattering, 563Vibrating crystals, 562Vibrational–librational correlations, 437Viewing transformation, 368–369, 371–372,

374Viewport, 368, 370Viewport transformation, 368, 370Viruses, spherical, 317Vitamin B12, 268

Waller–Hartree formula, 444, 446Warren short-range-order parameters, 431Wavefield, 535, 537Wavefunctions, prolate spheroidal, 38Wavelengths, 277Wavevectors, 542Weak enantiomorphic images, 238Weak phase objects, 311, 481

periodic, 313Weak-phase-object approximation, 283Weighted difference map, 90–91Weighted lattice distribution, 42Weighted reciprocal lattice, 99–100

statistical properties of, 190Weighted reciprocal-lattice distribution, 59Weighted tangent formula, 220Weighting factor, 271Weights

anisotropic, 355Gaussian, 355

Width of rocking curve, 540at half-height, 544

Width of total-reflection domain, 541,546

Wigner–Seitz cell, 165Wilson plot, 269Window, 368, 371, 376Windowing, 368, 370Windowing transformation, 368Winograd algorithms, 50, 54

592

SUBJECT INDEX

Page 23: Author index - International Union of CrystallographyAuthor index Entries refer to chapter number. Abad-Zapatero, C., 2.3, 3.3 Abdel-Meguid, S. S., 2.3, 3.3 Abi-Ezzi, S. S., 3.3 Ablov,

Winograd small FFT(s)algorithms, 54nesting of, 56

Wintgen letter, 167Wintgen position, 167Wintgen symbol, 167World coordinates, 368Wyckoff letter, 167Wyckoff position, 100, 167Wyckoff symbols, 67

X-ray analysis, 269X-ray fibre diffraction analysis, 466

data processing, 472structure determination by, 474

X-ray scattering, 275cross section, 452

X-ray topographs, 534X-rays, 275

diffuse scattering of, 407interaction with matter, 534

z buffer, 376Zero-absorption case, 540Zonal data sets

view down the chain axis, 483view onto the chain axes, 483

Zone-axis patterns, 286, 291Zones and rows, average intensity of,

191

593

SUBJECT INDEX