1. Standard Data Analysis - Reporting
ChemStation - Level 1 - Training
In this module you can learn the basics about the ChemStation Report features.

2. Specify Report From Data Analysis:
The Specify Report dialog box specifies how the results are reported.
Destination
You can send a report to more than one destination. The report can be sent to the following destinations: Printer, Screen, or File.
Report Styles
Allows you to choose from a variety of standard report styles.
Quantitative Results
Specifies how the quantification results are calculated.
Calculate
Allows you to choose from six calculation types.
* Percent
* Norm%
* ESTD
* ESTD%
* ISTD
* ISTD%
Based On
The calculations and peak identification can be based on Area or Height of the peaks.
Sorted By
RT (Retention Time). For multiple signal reports, the peaks of all signals are sorted according to their retention time.
Signal
For multiple signal reports, the peaks are first grouped by signal. Each group of peaks is then sorted by retention time.
Chromatogram Output
Allows you to customize the chromatogram printout to be portrait or landscape. With the Time and Response selections, specify (in percentages) the area of the page that the chromatogram's axes can occupy.
Note: Quantification formulas can be found in your software manual.
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3. Specify Report: Report Destinations
If the report is saved to the
file:
.TXT - Only the text is saved
to an ASCII file
.WMF-Each report graphic is
saved to a meta file
.DIF- Data saved in Data
Interchange Format for
EXCEL; only short
report style
.CSV- Comma Separated Values
format for spread sheets
and data bases; short style
If you choose to have the report saved to a file, you may fill in the file prefix and then select the file type. The resulting report will be found in the data file folder.
.TXT
The report text is printed as an ASCII text file. Only the text is saved.
.WMF
Each report graphic (chromatogram, spectrum, and calibration curve) is saved in a Microsoft Windows Meta file (WMF). There can be several .WMF files for one report. The generated file format adheres to the Microsoft © standard metafile format as defined in the Windows © software development documentation. The standard metafiles can be printed with the MFPrint command.
.DIF
The tabular report data is saved in Data Interchange Format (DIF). Spreadsheet programs accept this format, for example Microsoft Windows EXCEL. This file format is only available for the "Short" report style.
.CSV
The report is in Comma Separated Values (CSV) format. This is a very simple format for tabular data that is accepted by many spreadsheet programs and databases. This file format is only available for the "Short" report style.
NOTE: There can be several .DSV and .CSV files for a single report. For each report block, the first file, for example: REPORT00.CSV, contains the report header information. Subsequent files contain the tabular results. If the results are sorted by retention time, only one file is required for the complete table, for example: REPORT01.CSV. If the results are sorted by signal, a separate table is required for each signal. In this case, the files are named REPORT01.CSV through REPORTnn.CSV, where "nn" is the number of the signal.
.XLS
File type identifying a Microsoft Excel spreadsheet.
.HTM
File extension identifying a Hypertext Markup Language file. When the destination specifies a .HTM file, data is home page or ready for easy distribution. Share data as soon as it is available with internal or external customers. You can view these files using an Internet Browser that supports panes such as Microsoft Internet Explorer or Netscape Navigator. An ChemStation is not necessary to view the data.
For example, if you sent the .htm files by to someone else, they would open the files for viewing from the File menu of either the Internet Explorer or Netscape Navigator (for example). To view the report select index.htm. Make certain that the viewer has all the .htm files created so that they can view the complete report. For instance you might have: index.htm, content.htm, Page1.gif, and Page2.gif.
.XLS - For Microsoft EXCEL
spreadsheet
.HTM - Hypertext Markup Language, view
using an internet browser
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4. HTM generation-Simple
Easily publish reports
Specify HTM generation.
HTM file written to data file directory - index.htm.
Become home page or ready reports for easy information distribution.
Share data as soon as it’s available with internal or external customers.
The HTM reporting feature generates an index.htm, contents.htm and a gif-file for each page. Use index.htm to view the report.
In combination with the web reporter, which is part of the UCL you can post the HTM reports to a server automatically and so make them accessible from everywhere.
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5. Quantification Methods and Report Styles
Quantitative Results
Percent
External Standard(ESTD) and ESTD%
Norm%
Internal Standard(ISTD) and ISTD%
Styles
None
Short
Detail
Header + Short
GLP + Short
GLP + Detail
Short + Spectrum
Detail + Spectrum
Full
Library Search
Performance
Performance + Noise
Performance + Library Search
Extended Performance
Quantitative Results
Specifies how the quantification results are calculated.
Calculate
Allows you to choose from six calculation types.
* Percent
* Norm%
* ESTD
* ESTD%
* ISTD
* ISTD%
Report Styles
Allows you to choose a variety of standard report styles from the following:
None
No text will be reported. The chromatogram will be reported only if the Add Chromatogram Output option is selected.
Short
Comprises quantitative text results of all integrated signals which are setup in the Signal Details dialog box.
Detail
Comprises header, quantitative text results, and calibration curves. A custom header may be stored in a file called RPTHEAD.TXT.
Header + Short
Comprises file header and quantitative text results. A custom header can be stored in a file called RPTHEAD.TXT in the method directory. You can create the header using a text editor to include method specific text.
GLP + Short
Comprises header, sample information, instrument conditions, logbook, chromatogram, and quantitative results. The header is stored in a file called RPTHEAD.TXT in the method directory. You can change the header using a text editor to include a method specific text.
GLP + Detail
Comprises header, sample information, instrument conditions, logbook, chromatogram, quantitative results, and calibration curves. The header is stored in a file called RPTHEAD.TXT in the method directory. You can change the header using a text editor to include a method specific text.
Short + Spectrum
Comprises instrument conditions, chromatogram, quantitative results and peak purity plots.
Detail + Spectrum
Comprises header, instrument conditions, chromatogram, quantitative results, calibration curves, and peak purity plots. The header is stored in a file called RPTHEAD.TXT in the method directory. You can change the header using a text editor to include method specific text.
Full
Comprises header, sample information, instrument conditions, logbook, chromatogram, quantitative results and peak purity plot. The header is stored in a file called RPTHEAD.TXT in the method directory. You can change the header using a text editor to include a method specific text.
Library Search
Produces a calibrated report including library search results. Peak numbers, retention times, library-search match factors, amounts, and compound names are printed according to the parameters specified in the Automated Library Search dialog box.
Performance
Produces a report according to the limits specified in the Edit Performance Limits dialog box of the System Suitability menu. For uncalibrated methods, the report parameters include the peak number, retention time, peak area, peak height, signal description, true half-height peak-width, symmetry, k', efficiency (plates) and resolution for each peak. For calibrated methods, the report parameters include the peak number, retention time, compound name, amount, signal description, true half-height peak-width, symmetry, k', efficiency (plates) and resolution for each peak. The k’ value cannot be calculated unless the user inputs the column information prior to injection. The peak width is calculated at the inflection points of the peak, it is not the more complex peak width formula used by the integrator. The values of efficiency and resolution are based on this calculated peak width. The report header consists of all method relevant information, including instrument, column, sample, and acquisition parameters. A chromatogram is also plotted.
Performance + Lib. Search
Combines the Performance and Library Search styles.
Performance + Noise
Combines the Performance report style with the noise calculations for the noise ranges defined in the Edit Noise Range dialog box of the System Suitability menu.
Extended Performance
Produces an extended report with all the parameters from the peak performance calculations and individual plots of each peak. This report type includes only calibrated peaks. In addition to the parameters printed for the Performance report style, the start and end peak retention times, skew, excess, peak width, USP tailing factor, time interval between data points, number of data points, statistical moments, plates, plates per meter, selectivity and resolution of each peak are printed. The peak width, plates, plates per meter, selectivity, and resolution are calculated by the true half height, 5 sigma, tangent and tailing methods. The report header consists of all method relevant information such as instrument, columns, sample and acquisition parameters, and a plot of the chromatogram.
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6. Overlay Instrument Data Curves
The Instrument Curves panel allows you to change the contents of the chromatogram window. You can specify which instrument data curves (acquired during the run) are displayed with the chromatogram and report in the interactive report, using the Print Report menu item. This feature may be useful to show a gradient in a report.
To acquire instrument data curves during a run, select Instrument, More Pump, Data Curves…. Select the data curves you would like to store. By default, all curves are selected.
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7. Remember to Save the Report Style with the Method
Remember to save the report style as part of your method.
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8. Report Tools Identify Peaks, calculate & preview Results Print Report
Specify Report
When the Integration or Calibration Task Tool is selected, there are several tools available on the Status Toolbar and the Top Toolbar. They include: Specify Report, Identify Peaks, Calculate and preview results; and Print Report.
Show/Hide current
Chromatogram
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9. Lab Time !!!! Lab 6 - Reporting
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