A wizard ask you to select an existing or to create a new project.
Then select the name of the new *.cal file.
The next page shows you the options. You can use an existing *.cal file for better identification of the new retention indices. You can evaluate data from mass selective (Quadrupol, IonTrap, …) or current selective (FID, …) detectors. Please also select the expected retention index range. Furthermore, if you use *.ocb files, you can select the option to use already existing peaks.
The next page lets you select the MSD or CSD file.
The file is evaluated, peaks are detected and identified. The next page displays the results. You can delete selected peaks if they have been detected inappropriately.
The next page shows the identification results. A mass spectrum comparison often leads to ambiguous results. That’s why we think, that an completely automated approach could fail. Though, you can either replace each peak target by the listed one or try to auto assign the standards.
The auto assignment checks that the selected range of indices is equal to the number of peaks.
When you’re ready, please review the results in the next page.
After verification of the extracted indices, please press on “Finish” to write the *.cal file.
The *.cal file can be edited on demand.
Please also have a look at the evaluated data set.
The freshly created *.cal file can be used in AMDIS or within OpenChrom now. Please open the preferences.
The retention index calculator lets you select the retention index file.
It is then used to calculate retention indices for peaks and scans of a selected chromatogram.