安捷倫液相培訓(xùn)-新版軟件使用(Chemstation IR)

1、agilent openlab cds chemstation 介紹,aganda,openlab cds 產(chǎn)品架構(gòu)簡(jiǎn)介,page 3,agilent openlab cds 單機(jī)版,page 3,openlab cds 單機(jī)版,openlab cds 單機(jī)版,instrument,3rd party driver,page 4,agilent openlab 完整版系統(tǒng)架構(gòu),aic,aic,client,client,client,client,openlab 共享服務(wù) ecm / eln 服務(wù)器,server core,aic,instrument,3rd party driver,ins

2、trument,3rd party driver,aic,gcdriver,instrument,lcdriver,instrument,intelligent or legacy reporting,intelligent reporting is only available with openlab.,you must select this option when configuring the instrument in openlab.,1,aganda,openlab cds 設(shè)計(jì)架構(gòu)設(shè)計(jì)介紹,directory structure of chemstation software

3、,instrument folders: data files,methods, sequence files, etc.,execution files and macros,report templates,spectral libraries,terms and definitions,chemstation folders,master methods,sequence templates,individual data files and result sets,temporary files,data organization concept result set,at the s

4、tart 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).,result se

6、ts,sequence method (copy of master method),data files,batch file,sequence file (copy ofsequence template),a result set is a complete package for examining and processing analysis results.,logbook,report template (.rdl),results file,data file contents,da method,signal,logbook,exploring data in the ch

7、emstation explorer,data path,result set,data folder,single runs in folder,aganda,openlab cds 軟件使用 數(shù)據(jù)重新處理,data analysis workflows,reprocess 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 doe

8、s 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 if you have co

9、nfigured intelligent reporting.,what 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 box.,only availa

10、ble 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.,reprocess

11、mode selection tool.,load and review sequence data,subdirectory specified in sequence parameters.,sequence result set (folder).,find and load sequence data into navigation table,double-click on file row to load data file.,type of run single run from an old-style sequence from a result set from a use

12、r assembled result set,reprocess mode,reprocess the sequence,reprocess when ready.,sequence reprocessing,blue color indicates reprocessing mode.,indicates current sample reprocessing.,stop reprocessing,update methods,if desired, update the original master method with the modifications made to the se

13、quence 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.,update methods,drag and drop from master methods

14、folder 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 methods,methods common to both result file and master method folder are shown in bold. metho

15、ds prefaced by an (r) are read-only. the current method is in italics.,reprocessing with different method,1. choose menu item,2. select new reprocessing method.,3. reprocessing begins after choosing the new method and follows the order in the sequence table.,reprocessing with different method,4. the

16、 sequence table has been updated with different method and can be saved as a new template.,5. the new reprocessing method is added to the result set.,sequence reprocessing with manual integration,(1) perform manual integration.,(2) save manual events to data file.,(3) manual events marked in table,(

17、4) reprocess,sequence reprocessing with manual integration,reprocessing uses sequence method,manual integration is stored with data file not method,report indicates manual integration,partial sequence reprocessing in data analysis,method audit trail,aganda,openlab cds 軟件使用 結(jié)果集,user assembled result

18、set,step 1 clear the navigation 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.,user assembled result s

19、et,step 2 use context menu to add data from different sources.,user assembled result set,step 3 select data files in navigation table by highlighting each row. use shift or ctrl to highlight multiple rows.,user assembled result set,step 4 select sequence create new result set . select method and des

20、tination folder.,note new user-assembled result set is now available. use update methods or drag and drop to add more methods to the result set.,result set migration,converts non-result set sequence data (prior software revisions) to the data result set structure,destination folder must be empty. us

21、e make new folder in the browse for folder window to create.,result set migration,legacy data files from batch.b are now in a sequence result set.,sequence reprocessing files generated in b.01 or with unique folder creation turned off,to reprocess data from b.01: load the master method used during t

22、he acquisition. load the .s sequence template 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 analysi

23、s is checked in the method run time checklist. run sequence.,aganda,openlab cds 軟件使用 數(shù)據(jù)重新計(jì)算,data analysis workflows,reprocess 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

24、 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 if you have configured inte

25、lligent reporting.,data storage for single run,the data 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 cha

26、nges are only to be applied to a single run, modify that files da.m. if changes are to be applied to all future acquisitions, modify the original master method.,recalculate mode,auto-step through all or some of the data in the navigation table using the currently loaded method to review the data. re

27、calculate all or some of the data in the navigation table using 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:,view preferences,notice which option

28、 is set in preferences. you can override this by using the tool to select recalculate or reprocess from the data analysis view.,default auto step interval is set here.,auto-stepping,the currently loaded method is used for recalculation. no method is reloaded during basic auto stepping. after each li

29、ne a pause is done according to the step interval setting. report is triggered only if set so in preferences | signal/review options. the da.m will be updated when new results are generated,step through data files manually.,step through data files automatically.,pause.,load first/last file.,recalcul

30、ate with specific method,currently loaded method.,auto step starts at currently highlighted row.,recalculate using last result mode,in 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.,recalculate using la

31、st result mode,changes to the method for this sample (i.e. integration parameters) will update the results file when print report is selected.,method modification status indicates method has been changed.,aganda,openlab cds 軟件使用 數(shù)據(jù)瀏覽,data analysis workflows,reprocess mode only available when working

32、 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 with either the loaded method or the individual data files method (da.m). review view no loading of method or d

33、ata file. choose file and report template to view. based on current results (stored in acaml file). only available if you have configured intelligent reporting.,the layers of analytical data transformationchemstation is improving from the ground up,acquisition,integration,identification,quantitation

34、,calculation,reporting,reporting structured chemical measurements,preparatory measurements measurement system testing calibration measurements control measurements sample measurements,runs become structured result sets,blank,standard,standard,samples,samples,result set creation- acquisition,acquisit

35、ion,result set creation - processing,integration,identification,quantitation,acaml processed results fileagilent common analytical markup language,xml type file contains everything including calibration, signals and spectra,acaml for each run rolls up to the sequence,per injection,per sequence,resul

36、t review,calculation,reporting,review never modifies the acaml results,review view,allows the user to view current results 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

37、the report template. data results (acaml file) must exist.,concepts of data review,data can be selected templates can be per 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

38、reports are per data set but data sets can be combined,opening the review view,1,2,3,click the review tab to enter.,select data.,data populates navigation table.,data result set selection,toggle navigation table on/off.,to load a result set into the navigation table: double click on result set, or r

39、ight click and select load.,selecting a template generates a preview,1,2,3,report display controls,moves to the previous report page,moves to the next report page,moves to the last report page,searches for the first occurrence of the given string within the report,searches for the next occurrence of

40、 the given string within the report,stops the rendering process.,refreshes the current report,copy current page to clipboard,prints the rendered report,previews the report using the current chemstation printer settings,moves to the first report page,shows actual page number & overall number of pages,zoom