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Code P008 Date: 20.2.2007 1 Clarity User Training Advanced Clarity User Training
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Code P008 Date: 20.2.2007 2 For advanced users User settings and display options Sequences Multidetector systems Export data Report setup Batch data reprocessing
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Code P008 Date: 20.2.2007 3 For advanced users Data archivation Column Performance Noise and Drift Special calculations Control modules GLP a CFR21part11
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Code P008 Date: 20.2.2007 4 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 window User settings
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Code P008 Date: 20.2.2007 5 Text Label and Lines for legends and arrows Chromatogram/Create Label Moving and Scaling of Chromatograms Math operation s Overlay activation Labels and display options
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Code P008 Date: 20.2.2007 6 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
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Code P008 Date: 20.2.2007 7 Colored peak area in chromatogram Highlight currently selected peaks Simply select a peak in the chromatogram result table. The result table selection overrides the color defined in calibration
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Code P008 Date: 20.2.2007 8 Colored peak area in chromatogram Highlight peaks selected in Results table (signal color used) Use Peak Color set in Calibration file
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Code P008 Date: 20.2.2007 9 Context menu invoked by right mouse click in table Table customizing options
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Code P008 Date: 20.2.2007 10 Common columns in Summary table Independent setting of columns Common - for all compounds Summary – compound specific
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Code P008 Date: 20.2.2007 11 Summary table options
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Code P008 Date: 20.2.2007 12 Context menu invoked by right mouse click in Chromatogram window Axis properties setting Graph properties setting Graph display options
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Code P008 Date: 20.2.2007 13 Gradient display options Setting for individual signals Chromatogram display options
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Code P008 Date: 20.2.2007 14 Customizing Toolbars Reset All restores original settings
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Code P008 Date: 20.2.2007 15 Define a serie of samples to be measured Essential for working with autosamplers For controled autosamplers the Vial number and Injection volume are used 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 for import of sample data from text files Allows reprocessing of last measured sample set Sequence table
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Code P008 Date: 20.2.2007 16 Start, End vial and Injections number. Several vials and/or injections defined on single row File name, automatic %variables for SV, EV, IV Automatic recalibration from sequence Row status indicator Use row, add new rows during sequence run Tooltip with actual file name Individual Post-Run settings for each row Sequence table window
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Code P008 Date: 20.2.2007 17 Pasive sequence Clarity only expects Start signal, analysis time is set on autosampler Active sequence Clarity sends a Ready signal to autosampler and waits for Start signal AS control (Active sequence) Autosampler injects according to SV, EV, IV and Inj. Volume in sequence table Editation of template method used on selected row Initial value for %n Sequence options
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Code P008 Date: 20.2.2007 18 Run sequence starts complete sequence (resets the status) Pause sequence 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 Skip Vial Stop sequence will stop the sequence run. Repeated Stop will stop the current analysis Sequence control
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Code P008 Date: 20.2.2007 19 Select the file to 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 Sequence import
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Code P008 Date: 20.2.2007 20 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
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Code P008 Date: 20.2.2007 21 Copy a picture to MS Office (including labels) via Clipboard or store it in *.emf format Copy a selected part of table using Copy (Ctrl C) and Paste (Ctrl V) Export data - simplest
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Code P008 Date: 20.2.2007 22 Headers: Column headers and chromatogram info Full format: Filename, date and time before each row blank field = actual chromatogram name +.txt extension Path can be used All exported data are in single file Export time/signal data pairs (import to other programs – for example graphics) Export data: manual - from Chromatogram window automatic - according to Setting/Postrun batch - from Analysis/Batch Export data - options
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Code P008 Date: 20.2.2007 23 Export data - example
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Code P008 Date: 20.2.2007 24 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 File type Chromatograms Calibration standards Sequence Files Export according to Settings - Export Data Electronic signature for series of chromatograms Batch processing
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Code P008 Date: 20.2.2007 25 Assignment of detectors to Clarity Instruments in the System Configuration dialog All signals stored in a single chromatogram Result table, Integration table and Acquisition parameters are individual for each chromatogram Common calibration file calibration curves are individual for each signal Summary table for display of results from all signals Multidetector systems
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Code P008 Date: 20.2.2007 26 Results are displayed individually, some properties like calibration are common for the whole chromatogram Connecting link marks signals from one chromatogram. Click icon to set signal active Detector Delay compensates for interdetector volume, inactive for first signal Multi signal chromatograms
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Code P008 Date: 20.2.2007 27 Summary table displays results for several chromatograms or signals simultaneously In overlay, several chromatograms can be compared. Maximum number can be set in user options Doubleclick on legend will set signal active Scale, move and math operations are active only in overlay Ctrl + click will hide/show the signal Ctrl + click will lock the tool for repe- titive use. Overlay
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Code P008 Date: 20.2.2007 28 Report Setup - logo
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Code P008 Date: 20.2.2007 29 Report Setup – tiled signals
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Code P008 Date: 20.2.2007 30 To reduce the data size compressed archive *.dgz files should be used *.dgz archives always replace all data (files deleted from project will be during archiving deleted also from the archive). It is advantageous to archive whole projects – should be considered when planning project structure Archiving and backup
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Code P008 Date: 20.2.2007 31 Archive and Restore for copying or moving projects Selected file types Without compressing = original format and structure compressed *.dgz archives = single file Archive data
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Code P008 Date: 20.2.2007 32 Separation parameters Values used for Capacity ratio and Efficiency calculation Calculation type Performance tab (hidden in default layout) Advanced tab in the Method Setup (displays template method Performance parameters
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Code P008 Date: 20.2.2007 33 Actual noise monitoring in the Data Acquisition window Noise monitoring
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Code P008 Date: 20.2.2007 34 Drift and Noise displayed for selected intervals in Result table header Drift and Noise can be used for in User column calculations Noise and Drift
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Code P008 Date: 20.2.2007 35 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 Calculations
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Code P008 Date: 20.2.2007 36 ISTD calculations are performed: a) Amount for ISTD is set in both calibration and sample b) both are zero ISTD compound is calibrated ISTD amount in sample is given Only one ISTD compound is allowed in calibration. If the conditions are not met, no results will be calculated ISTD peak can be hidden in the Result table ISTD calculations
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Code P008 Date: 20.2.2007 37 If Sample amount is non- zero, it will replace the sum in the Amount column and serve as a base for Amount % calculation Total line is calculated as a sum of all groups + sum of peaks not belonging to any group. Groups are calibrated, thus peaks should not be both calibrated and in a group to get correct Amount% values Amount % gives the normalized % if all integrated peaks are calibrated and Sample amount is zero Normalized % calculations
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Code P008 Date: 20.2.2007 38 1 st step Adding peaks to a group in the integration table 2 nd step Setting a Group in Calibration table. The compound name and amount is set as for ordinary peaks Groups
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Code P008 Date: 20.2.2007 39 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 Uncal. Response: Used 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). Scale Factor and Uncal.Response
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Code P008 Date: 20.2.2007 40 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 Setting Default Injection Volume in calibration Setting Injection Volume for sample and standard Injection Volume
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Code P008 Date: 20.2.2007 41 Command Calibration/Show History displays data used for selected level Deviation of point from calibration curve in % Residual sum of deviation squares Calibration
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Code P008 Date: 20.2.2007 42 Calibration Retention (Kovats) indexes LOD and LOQ limits Columns for Retention (Kovats) indexes are hidden in default settings. Use setup columns to disdplay them Amounts lower then specified LOD or LOQ limits are marked in Peak type column Retention indexes, LOD, LOQ
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Code P008 Date: 20.2.2007 43 For selected instruments the direct control is available. The advantages are The instrument parameters are stored in a method It is not necessary to enter the parameters twice, especially useful for autosamplers The parameters are recorded in the chromatogram Control Modules
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Code P008 Date: 20.2.2007 44 Control modules enable full control of connected devices like gradient programe and other settings. The used settings are stored within a chromatogram. Control modules (GC)
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Code P008 Date: 20.2.2007 45 Control modules (LC, AS)
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Code P008 Date: 20.2.2007 46 Option to Send/Confirm/Do not send method to instruments after method change Send Method options Confirmation dialog Control Modules
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Code P008 Date: 20.2.2007 47 Control modules overview
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Code P008 Date: 20.2.2007 48 Other devices can be controlled by A/D board digital outputs: gradient or detector program start detector autozero valve switching fraction collector control Synchronization in Active Sequence Dig. output set in System Configuration, not in the Event table Additional control
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Code P008 Date: 20.2.2007 49 Set events in the Event Table tab in the Method Setup Named events Digital event input type Output event can trigger run/sequence commands: Stop Abort Skip vial Shutdown Repeat injection Event table
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Code P008 Date: 20.2.2007 50 Chromatogram history All saved versions are stored in the chromatogram Versions can be opened (including calibration) Audit trails Station, Chromatogram, Sequence, Calibration User access Can be restricted by User Accounts settings GLP a CFR21 part 11
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Code P008 Date: 20.2.2007 51 Electronic signatures based on User Accounts based on Certificates Validation Installation qualification - standard feature Performance qualification - by optional Validation kit Operation qualification - SST module for statistical evaluation and pre-set limits control GLP a CFR21 part 11
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