By Anonymous on Monday, May 24, 2004 - 04:21 pm:
Anyone have hands-on experience with the grouping function of peaks on Chemstation, as opposed to area summation (I already know how to do area summation). I'd like to integrate peaks normally, then sum up the individual areas of maybe five peaks, and use that sum in the calibration table for %ESTD. The software is a little fuzzy for me to learn this from online help. Can anyone provide the secret? I'm also posting on the companion board, as I have the same desire with GC peaks. I have from A.06 to A.09 software. Thanks.
By Tim on Tuesday, May 25, 2004 - 03:39 am:
Not used it before, but worked out what to do:
1. Ensure you have Grp column on Calibration table (in Calib Table Options, select Compound Details, or do Manual setup and select Compound Group Number, plus any other columns you need).
2. Ensure all peaks in group are included in Calib table.
3. Click in Grp box for first compound in group and enter 1. Click off box and Compound Group Details box appears. Enter a name for the group. Check the Group Amount Calculation box and enter Amount for the group (once in a group, you can't have different amounts in the calib table - if you try to change them, you'll get an error message). Click on OK.
4. Click on Grp box for other compunds in group and enter same group number as above.
5. Repeat from step 3 for additional groups is you have them.
Calibration and Results are worked out as:
Calibration: Conc of Group AB = RF(A)*Resp(A) + RF(B)*Resp(B), etc.
Since RF(A)=RF(B), final result calc is:
Conc(A) = (Conc(AB) * Resp(A)) / (Resp(A) + Resp(B))
Hope that helps. If not, someone else will have to shed more light on it.
By Anonymous on Tuesday, May 25, 2004 - 11:15 am:
OK, I'm trying that for four peaks on A.06 (couldn't find where to access Group Amount Calculation box in A.03). I think I'm real close. But when I do a Sequence Summary Report, I get separate quantitations for the four peaks, which I apparently must sum manually. So is that the way it's supposed to work, I guess I was expecting a "single number" to be reported for the sum of the four peaks, but maybe that's not how it's designed.
By Henrik Vogelius on Wednesday, May 26, 2004 - 03:02 pm:
For A.10 under specify report there is a option mark "Add summed peaks table", if you see it hit it.. this work for the standard report I don't know if it will work for a summary. Take also a look on this forum: http://www.chemuserworld.com/forum/index.php