Data Mining and Search Match - Identifying materials at ... Mining... · Finds Pt3 In7 – very...
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Transcript of Data Mining and Search Match - Identifying materials at ... Mining... · Finds Pt3 In7 – very...
PDF-4+ SubfilesRelease 2009
Merck0%
Active Drug Substances
0%
Excipients1% Polymers
1%Forensics
7%
Explosives1%
Ceramics6%
Bioceramics0%
Perovskites2%
Semiconductors1%
Microwave1%
Ferroelectric1%
Common Phases12%
Education1%
Intercalates0%
Ionic conductors
1%
Pharmaceuticals3%Pigments
1%
Superconducting Materials
4%
Reaction Products0%Related
Materials 0%
Conventional 0%High TC
0%Zeolites
2%Cement Materials
1%
Battery Materials
1%
Mineral & Related Materials
22%
Mineral19%
Synthetic10%
Nonambient2%
Gem0%
Inorganic60%
Organic8%
Mineral & Related
Materials8%
Metal & Alloys24%
Major Subfiles
Phase Identification
Up to now a typical analysisMatch residuals
Four phases matches 82/93 possible peaks
Go to Data Mining
Why this works1) Known subfile, 4,647 Materials2) Accurate d-spacings3) small known error
Bin Size = 0.07 Increments(Search esd was 0.03)