P008/60A 11.6.2015 CLARITY CHROMATOGRAPHY SOFTWARE USER TRAINING - ADVANCED.
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Transcript of P008/60A 11.6.2015 CLARITY CHROMATOGRAPHY SOFTWARE USER TRAINING - ADVANCED.
P008/60A
11.6.2015
CLARITY CHROMATOGRAPHY SOFTWARE
USER TRAINING - ADVANCED
Customization
Calculations
Using Sequences
Export Data
Archive and Restore
Productivity skills
Advanced Features
User settings
User settings are stored in individual users desktop
*.dsk files.For this reason they are set in the instrument window
and not in the main Clarity window
Overlay
In overlay, several chromatograms can be compared. Maximum number can be set in
user options
Summary table displays results for
several chromatograms or
signals simultaneously
Overlay could be activated also from File open
dialog
Ctrl + click will hide/show the
signal
Overlay mode – 3D View
Arange overlaid chromatograms
Additional Labels
Text Label and Linesfor legends and arrowsChromatogram/Create
Label
Label Assignement
Math operati
ons
Moving and Scaling of Chromatograms – active
only in Overlay
Table customization options
Context menu
invoked by right mouse click in table
User Columns – Relative Retention Times
Setup User Column using
the Special Values,
Compound option
Calculated RRT
Force Peak Identificati
on
Common columns in Summary table
Independent setting of columns Common – for all compounds Summary – compound specific
Summary table options
Colored peak area in chromatogram
Peaks in calibration can have a color assigned.
When these peaks are identified in
chromatogram they will be automatically colored
Peak selected in result table will be highlighted in
chromatogram line color
Colored peak area in chromatogram
Highlight peaks selected in
Results table or Graph (signal color used)
Peak Color set in Calibration file
Graph display properties
Context menu invoked by right
mouse click in the graph in
Chromatogram window
Graph properties
settingAxis
properties setting
Chromatogram display options
Signal scaling
Individual Signal settings
Scale and Move
Chromatogram display options
Auxiliary Signals options
Gradient display options
Customizing toolbars
Invoked by right click in toolbar area
Reset Allrestores original
settings
Report Setup - logo
Report Setup – tiled signals
Customizable order of Report sections
Right click the tab and adjust its
position
Performance parameters
Calculation type
Values used for Capacity ratio and Efficiency
calculation
Performance tab
Results,Performance Parameters
Noise monitoring
Actual noise monitoring in the Data Acquisition
window
Noise and Drift
Drift and Noise can be used in User
column calculations
Drift and Noise displayed for selected
intervals in Result table header
Calculations
ISTD calculations Normalized % calculations Groups
calibration of peak group like single compound example - isomers (xylen)
Scale factor recalculation of result to other units
Uncalibrated response quantification of unidentified peaks using Uncalibrated
response factor
Injection volume Injected volume correction for manual injection in GC
ISTD calculations
Up to 5 ISTD compounds allowed in
calibration. If the conditions are not
met, no results will be calculated
ISTD compound amount in standard
ISTD compound amount in
sample
ISTD calculations are performed:a) Amount for ISTD is set in both calibration and sampleb) both are zero
Normalized % calculations
Amount % column gives the normalized % if all integrated peaks are
calibrated and Sample amount is zero
Calculation type NORMjust checks those
conditions are met, calculations are same as
for ESTD
If Sample amount is non-zero, it will replace the sum in the Amount column and serve as a
base for Amount % calculation
Groups
1st stepAdding
peaks to a group in the
integration table
2nd stepSetting a Group in Calibration table.
The compound name and amount is set as
for ordinary peaks
Scale Factor and Uncal. Response
Scale factor and Units after scaling:Multiplies values in Amount column
and changes the units in column header.
Method specific parameter, multiplies also the entered Sample Amount
value
Unidentified peaksUsed for quantification of unidentified compounds. For universal response
detectors (ELSD, FID, RI)
Dilution:Multiplies values in Amount column.Sample specific parameter (entered
from Sequence or Single Analysis window).
Injection Volume Correction
Setting Default Injection
Volume in calibration
Setting Injection
Volume for sample and
standard
Default Injection Volume must be set first in calibration and Injection Volume set in standards before calibrating Supposes linear detector response Can lead to incorrect results, if used improperly
Calibration
Command Calibration/Show
Details displays data used for selected level
Residual sum of deviation squares
Calibration options
Calibration curve check
Failure displayed in the Peak Type
column in Result Table
New Calculation types
NORMSTDADD
Retention indexes, LOD, LOQ
Column for Retention (Kovats) indexes is hidden in default
settings.Use setup columns to display
it. Amounts lower then specified
LOD or LOQ limits are marked in
Peak type column
Defines a series of samples to be measured Essential for working with autosamplers
For controled autosamplers the Vial number and Injection volume are loaded from this table
Allows modifications during a run for not yet processed samples Simply add samples by filling any field in the
last empty row. Other fields will be copied from previous. Several samples can be added by copying from a table
Allows the import of sample data from text files Allows reprocessing of last measured sample set
Sequence table
Sequence table window
Start, End vial and Injections number. Several vials and/or injections defined on single
row
File name, automatic %variables
for SV, EV, IV
Automatic recalibratio
n from sequence
Individual Post-Run
settings for each row
ImprovedRow
status indicator
Use row, add new rows
during sequence run
Tooltip with actual file name
Sequence options
Pasive sequenceClarity only expects Start signal,
analysis time is set on autosamplerActive sequence
Clarity sends a Ready signal to autosampler and waits for Start
signalAS control (Active sequence)
Autosampler injects according to SV, EV, IV and
Inj. Volume in sequence table
Editation of template method used on selected
row
Pasive sequenceClarity only expects Start signal,
analysis time is set on autosampler
Active sequenceClarity sends a Ready signal to autosampler and waits for Start
signalAS control (Active sequence)Autosampler injects according
to SV, EV, IV and Inj. Volume in sequence table
Initial value for %n
Sequence controlRun sequence
starts complete sequence (resets the status)Resume sequence
continues from last injection
Status of the sequence. Stored at Pause, Abort, Stop
Can be changed by Edit/Reset Status for selected rows
Repeat Injection and Skip Vial only in active sequence
Stop sequence will stop the sequence run.
Repeated Stop will stop the current analysis
Check Sequence
Sequence import
Assign the respective fields to be imported
Only Start vial (SV) and file name must be set (marked in bold)
Other fields will be filled by default values
Select the file to import
Sequence
Bypass to perform run without injection for startup and shutdown methods
New file name variables
%P – Project%s – Sequence%J – Method
New columns:• Include in SST – perform SST
test when injection is finished
• Stored Calib. – chromatogram will be opened with stored calibration
• Close All – close all currently opened chromatograms in overlay to prepare for next summary report
Bracketing and Standard Addition
Calibration and Sequence Usage
Clone calibration at each Sequence start
Standard AdditionBracketing
This calibration will be used with Calibration used as
specified by user
Copy of the Example Calibration will be created according to Sequence options,
Calibration and Sequence Usage
Export data to other programs to prevent typing errors Simple Copy and Paste (Ctrl C – Ctrl V)
Export Data settings common for manual export from chromatogram window automatic export from postrun at the end of
each run automatic export by batch reprocess of
chromatograms or sequence Export of chromatograms in common formats
Export data
Export data - simplest
Copy a selected part of table using Copy (Ctrl C) and Paste
(Ctrl V)
Copy a picture to MS Office (including
labels) via Clipboard or store it in *.emf
format
Export data - optionsExport
automatic – Postrun, Export datamanual – from Chromatogram
windowbatch - from Analysis/Batch
Export time/signal data pairs
(import to other programs – for
example graphics)
Headers:Column headers and chromatogram info
Full format:Filename, date and time
before each rowblank field = actual chromatogram
name + .txt extensionPath can be used
All exported data are in single file
Export data - example
Export of data in Excel (.xls) format
Print Report style from Report Setup dialog will be used do not forget to switch off the Overlay mode
Export Reprocess of chromatograms according to instrument method Reprocess whole sequence Electronic signature
Batch processing
Export according to Settings - Export Data
File typeChromatograms
Calibration standards
Sequence Files
Open exported data in selected
program
To reduce the data size, compressed archive *.dgz
files should be used
*.dgz archives always replace all data
(files deleted from project will be also deleted
from the archive during archiving).
It is advantageous to archive whole projects –
should be considered when planning project
structure
Archiving and Backup
Archive data
Archive and Restore for copying or moving selected file types
Without compressing = original format and structure Compressed *.dgz archives = single file, always created
new (no appending!!)
Clarity – Perform postrun
Dialog will appear only if nothing is filled in or when
invoked from menu.
Sequential opening of chromatograms
Icon to perform postrun actions (Use Customize to reveal)
Shortcuts – command locking
Ctrl while invoking command will lock it for repeated use
Ctrl while invoking command will lock it for repeated use
Most popular shortcuts
Tables - function Fill series Sequence
Calibration
Gradient Both numeric and text fields
Fill Series
Force Peak Identification
Select new Peak
Identification
Name peaks without calibration file
Override identification by calibration
Name peaks without calibration file
Override identification by calibration
Force Peak Identificati
on
Select Peak to Force