1、1Agilent OpenLAB CDS ChemStation 介绍介绍2Aganda OpenLAB CDS 产品架构简介3Page 3Agilent OpenLAB CDS 单机版单机版Page 3OpenLAB CDS 单机版单机版OpenLAB CDS 单机版单机版Instrument3rd party DriverLCDriverInstrument4Page 4Agilent OpenLAB 完整版系统架构完整版系统架构AICAICClientClientClientClientOpenLAB 共享服务共享服务 ECM/ELN 服务器服务器Server coreAICInstru
2、ment3rd party DriverInstrument3rd party DriverAICGCDriverInstrumentLCDriverInstrument5Intelligent or Legacy ReportingIntelligent Reporting is only available with OpenLab.You must select this option when configuringthe instrument in OpenLab.126Aganda OpenLAB CDS 设计架构设计介绍7Directory Structure of ChemSt
3、ation SoftwareInstrument folders:data files,methods,sequence files,etc.Execution files and macrosReport TemplatesSpectral Libraries8Terms and Definitions9ChemStation FoldersMaster MethodsSequence TemplatesIndividual Data Files and Result SetsTemporary Files10Data Organization Concept Result SetAt th
4、e start of analysis a new unique folder is created with private copy of the master method and sequence template.As the analysis proceeds,all files associated with the analysis or sequence of analyses are stored in this folder creating a data container or Result Set.All subsequent actions for the run
5、s within a Result Set(calibrating,reviewing,reprocessing,etc.)use the files in the Result Set.Each sequence creates a Result Set with a method for the sequence as a whole.Each data file contains a copy of the method used to create the run:DA.M(saved after automated data analysis).11Result SetsSequen
6、ce Method(Copy of Master Method)Data FilesBatch FileSequence File(Copy ofSequence Template)A Result Set is acomplete package forexamining and processing analysis results.LogbookReport Template(.rdl)MasterMethodSequenceTemplateAcquisitionResultSetResults File12Data File ContentsDA MethodSignalLogbook
7、13Exploring Data in the ChemStation ExplorerData Path Result SetData FolderSingle Runs in Folder14Aganda OpenLAB CDS 软件使用 数据重新处理15Data Analysis WorkflowsReprocess Mode Only available when working with result sets.Uses the sequence engine to process data files.Recalculate Mode Works on any data in th
8、e navigation table does not need to be in a result set.Results can be calculated with either the loaded method or the individual data files method(DA.M).Review View No loading of method or data file.Choose file and report template to view.Based on current results(stored in ACAML file).Only available
9、 if you have configured Intelligent Reporting.16What is a Result Set?A user-assembled result set can also be created from data files in the navigation table.A result set will be automatically generated for any sequences that are run if Unique folder creation is set to ON in the Preferences dialog bo
10、x.17Only available when a result set is loaded into the navigation table.Recalibrate with different or changed method.Calculate new results using different or changed method.Uses the sequence engine to reprocess data.Follows order as in the sequence table.Sequence Reprocessing Reprocessing toolbar.R
11、eprocess mode selection tool.18Load and Review Sequence DataSubdirectory specified in Sequence Parameters.Sequence result set(folder).Find and load sequence data into Navigation TableDouble-click on file row to load data file.Type of run Single Run From an old-style sequence From a result set From a
12、 user assembled result setReprocess mode19Reprocess the SequenceReprocess when ready.20Sequence ReprocessingBlue color indicatesreprocessing mode.Indicates current sample reprocessing.Stop Reprocessing21Update MethodsIf desired,update the original Master method with the modifications made to the Seq
13、uence method.These changes will then be available when new sequences are acquired.Alternately,a new Master Method can be created.Updates to the Master method can occur automatically via the Sequence Parameters dialog box.Context menu available.22Update MethodsDrag and drop from Master Methods folder
14、 to result set or use arrow button.Sequence Methods that have been modified can update corresponding Master Methods via this interface.Use the Update Methods dialog to easily view sequence and master methodsMethods common to both result file and Master Method folder are shown in bold.Methods preface
15、d by an(R)are read-only.The current method is in italics.23Reprocessing with Different Method1.Choose menu item2.Select new reprocessing method.3.Reprocessing begins after choosing the new method and follows the order in the sequence table.24Reprocessing with Different Method4.The Sequence table has
16、 been updated with different method and can be saved as a new template.5.The new reprocessing method is added to the result set.25Sequence Reprocessing with Manual Integration(1)Perform Manual Integration.(2)Save Manual Events to Data File.(3)Manual Events Marked in Table(4)Reprocess26Sequence Repro
17、cessing with Manual IntegrationReprocessing uses Sequence MethodManual Integration is stored with data file not methodReport indicates Manual Integration27Partial Sequence Reprocessing in Data Analysis28Method Audit Trail29Aganda OpenLAB CDS 软件使用 结果集30User Assembled Result SetStep 1 Clear the Naviga
18、tion Table using context menu or tool.It is possible to reprocess,recalculate and report over samples assembled from different sequences or runs.The samples assembled from different sequences or runs can be turned into user-assembled result sets.31User Assembled Result SetStep 2 Use context menu to
19、Add data from different sources.32User Assembled Result SetStep 3 Select data files in Navigation Table by highlighting each row.Use Shift or Ctrl to highlight multiple rows.33User Assembled Result SetStep 4 Select Sequence Create New Result Set.Select method and destination folder.Note new user-ass
20、embled result set is now available.Use Update Methods or drag and drop to add more methods to the result set.34Result Set MigrationConverts non-result set sequence data(prior software revisions)to the data result set structureDestination folder must be empty.Use Make New Folder in the Browse for Fol
21、der window to create.35Result Set MigrationLegacy Data Files from BATCH.b are now in a Sequence Result Set.36Sequence Reprocessing Files Generated in B.01 or with Unique Folder Creation turned OffTo reprocess data from B.01:Load the master method used during the acquisition.Load the.S sequence templ
22、ate file used to generate the Sequence.Access the Sequence Parameters and change the Part of methods to run to According to Runtime Checklist.Make certain the path for the existing data files is correctly identified.Make certain that Standard Data Analysis is checked in the Method Run Time Checklist
23、.Run Sequence.37Aganda OpenLAB CDS 软件使用 数据重新计算38Data Analysis WorkflowsReprocess Mode Only available when working with result sets.Uses the sequence engine to process data files.Recalculate Mode Works on any data in the navigation table does not need to be in a result set.Results can be calculated w
24、ith either the loaded method or the individual data files method(DA.M).Review View No loading of method or data file.Choose file and report template to view.Based on current results(stored in ACAML file).Only available if you have configured Intelligent Reporting.39Data Storage for Single Run The da
25、ta file is saved in the data path and subdirectory as specified in the Sample Info.A copy of the data analysis method(DA.M)is saved in the data file(*.D)folder.The original master method resides in the Methods folder(chem32nmethods).If changes are only to be applied to a single run,modify that files
26、 DA.M.If changes are to be applied to all future acquisitions,modify the original master method.40Recalculate Mode Auto-step through all or some of the data in the Navigation Table using the currently loaded method to review the data.Recalculate all or some of the data in the Navigation Table using
27、a specific method.Recalculate last result(Last Result Mode)using the data file method DA.M.Allows a quick recalculation of one or multiple runs with a different method.Three different workflows:41View PreferencesNotice which option is set in Preferences.You can override this by using the tool to sel
28、ect Recalculate or Reprocess from the Data Analysis view.Default Auto step interval is set here.42Auto-stepping The currently loaded method is used for recalculation.No method is reloaded during basic auto stepping.After each line a pause is done according to the step interval setting.Report is trig
29、gered only if set so in Preferences|Signal/Review options.The DA.M will be updated when new results are generatedStep through data files manually.Step through data files automatically.Pause.Load first/last file.Recalculate with specific methodCurrently loaded method.Auto step starts at currently hig
30、hlighted row.43Recalculate using Last Result ModeIn this mode,the corresponding method(individual data file DA.M)is loaded along with each data file.Individual data file Method DA.M is loaded.44Recalculate using Last Result ModeChanges to the method for this sample(i.e.integration parameters)will up
31、date the results file when Print Report is selected.Method modification status indicates method has been changed.45Aganda OpenLAB CDS 软件使用 数据浏览46Data Analysis WorkflowsReprocess Mode Only available when working with result sets.Uses the sequence engine to process data files.Recalculate Mode Works on
32、 any data in the navigation table does not need to be in a result set.Results can be calculated with either the loaded method or the individual data files method(DA.M).Review View No loading of method or data file.Choose file and report template to view.Based on current results(stored in ACAML file)
33、.Only available if you have configured Intelligent Reporting.47The Layers of Analytical Data TransformationChemStation is Improving from the Ground UpAcquisitionIntegrationIdentificationQuantitationCalculationReporting48Reporting Structured Chemical Measurements Preparatory Measurements Measurement
34、System Testing Calibration Measurements Control Measurements Sample Measurements49Runs Become Structured Result SetsBlankStandardStandardSamplesSamples50Result Set Creation-AcquisitionAcquisition51Result Set Creation-ProcessingIntegrationIdentificationQuantitation52ACAML Processed Results FileAgilen
35、t Common Analytical Markup LanguageXML Type FileContains everythingIncluding Calibration,Signals and Spectra53ACAML for Each Run Rolls Up to the SequencePer InjectionPer Sequence54Result ReviewCalculationReportingReview Never ModifiesThe ACAML Results55Review View Allows the user to view current res
36、ults of a data set.This view is available when Intelligent Reporting is activated.No changes to the method are possible in this mode.Custom calculations are allowed if defined in the report template.Data results(ACAML file)must exist.56Concepts of Data Review Data can be Selected Templates can be Pe
37、r Run or for the Set Template Controls Data Structure and View To Support Immediate Evaluation To Support Formal Review To Scan Content To Create Final Report To Export Results Reports are Per Data Set But Data Sets can be Combined57Opening the Review View123Click the Review tab to enter.Select data
38、.Data populates Navigation table.58Data Result Set SelectionToggle Navigation Table on/off.To load a result set into the navigation table:Double click on result set,orRight click and select Load.59Selecting a Template Generates a Preview12360Report Display ControlsMoves to the previous report pageMo
39、ves to the next report pageMoves to the last report pageSearches for the first occurrence of the given string within the reportSearches for the next occurrence of the given string within the reportStops the rendering process.Refreshes the current reportCopy current page to clipboardPrints the render
40、ed reportPreviews the report using the current ChemStation printer settingsMoves to the first report pageShows actual page number&overall number of pagesZoom factor61Opening a Sequence Report Template62Right Click to Select All Runs63Sequence Report Preview64Assemble Result Set Clear Navigation Tabl
41、e65Assemble Result Set Select Result Set to Add66Assemble Result Set Select Items to Add67Assemble Result Set Selections AddedSelections Appear in Navigation TableBackground Color Indicates Items Were Added to the TableRepeat Additions from Additional Result Sets as Needed68Assemble Result Set Selec
42、t From Added Runs69Assemble Result Set Create New Result Set70Assemble Result Set Destination Folder71Assembled Result Set CompleteAssembled Result Set Appears with the Acquired Result SetsAssembled Sets are Distinguished by Empty Sample VialsSample Types are Set to Sample But Retain Original Results72Processing Assembled Result SetsAssembled Result Sets Can be Processed Like Acquired SetsSets Containing Consistent Results Do Not Have to be ProcessedReprocessing Assembled Sets is Not Always Appropriate73Report From Assembled Result Set74Exporting Reports to XLS75Report in XLS
