Reviewing manual integration GC-MSD chemstation

[johnnydmurph]

Hi, can anyone tell me if it is possible to visually review manual integration which was performed on a peak in GC-MSD chemstation. I know how to see the area percent report but what about the actual way the peak was integrated?

[tlahren]

I don't think anyone is quite sure what you mean. If you manually integrated it, don't you already see (by default) how it was integrated? Unless you mean during the Auto-integration. Usually the default is for Chemstation to use a RED line for the integration baseline. This usually has two little vertical RED lines marking the beginning and the end of the integration base. You could always set up your compounds in the Calibration Table and use QEdit to look at the integrations and adjust them with manual integrations all in QEdit.

Here is a link to some MSD Chem help sites (mostly YouTube videos). http://wn.com/Agilent_ChemStation

[USCCHEMGUY]

I believe johnnydmurph is asking this. Say I review a data file and I have a few manual integrations that I completed. I run my reports. Then Johnny wants to come behind me a week later and check everything and notices I have a manual integration on a report. If he loads the data file, the manual integration does not show up on the TIC, so either A, this manual TIC needs to be saved somehow for reloading or B, he needs to know how to load the file so that the manual TIC loads. I am curious of the same thing. I am used to using Target analysis software and all I have ever heard is how great Chemstation analysis software is but it is simple things like saving a manual integration on the MSD Chemstation datafile so that it loads the same way it was finished. It seems like I have to re-review everytime I want to look at the TIC.

[tlahren]

I'm not sure if there is another way, but using the QEdit function is the only way I know of in MSDChemstation to make a manual integration and have the area/result updated into the quant report. Making a change through QEdit updates the "METHODNAME".RES file. I believe the results in this file are used to write the epatemp.txt report file and most other reports.

To use QEdit you must first setup a quantitation database for your compounds. You can select either TIC or Single Ion Quant for each compound individually. There are many videos for how to do this at the following website: http://wn.com/agilent_chemstation
The data file must also be "calculated" ("Quantitate" from file menu then "Calculate" from pull-down) before one may use QEdit. Calculate runs the "QT" command for the data file using the method that is currently loaded. In the quantitation setup (Calibration - Edit Compounds) you may select a different integration parameter file for each compound or even each quant and qualifier ion for a given compound.

Again, the website above has many videos on this. I have also put together a word doc that may help you get started if you would like. Just send me an email and I'll send it to you. guitfiddle07 at gmail dot com

[Yama001]

Ty is correct regarding method set up in MSD Chemstation.

If one wishes to record and integrated chromatogram for later review without having a mehod setup for it, review the STORE and RECALL commands in the on line help. You may save chromatograms, mass chromatograms, and spectra for later review. Also, I believe later versions of the MSD Chemstation save a copy of the integrated TIC in the datafile folder (method.QC1, etc).

There is also an undocumented macro that will pull up only the manually int peaks for review.