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peak width software help (xcalibur, and totalchrom)

Posted: Mon Feb 18, 2013 3:18 am
by weezilla
Hi all, I am sorry to pop on here and first thing ask, but I've searched somewhat extensively on the web and on this forum. I'm a lab tech at a small university and I am testing an experiment they want to try (just separation of some different benzenes in meoh/h2o).

I am using a Thermoscientific Finnigan LC (coupled with MS, but have MS off). The software is xcalibur. I can't figure out how to do peak width at 50%. There is a very brief explanation of peak width in the help, but no reference as to how to view it (I'm not even sure it's possible, although it seems it should be). I can export the chromatogram to CSV and open it in excel, and was hoping to find a simple tool that undergrad students could use to find the peak width @50, but I can't find that either. Ideally, I'd like a free software you can import a CSV chromatragram into, but I don't think those exist.

Secondly, and less importantly. I have a way to get peak width at 50% for our TotalChrom (perkin elmer) on the other LC we're using for the class, but it's a lengthy and annoying process for each chromatogram, which involves running everything, using graphic edit to re-identify components, running system suitability on all of them, then opening the report for each.

I've been working all weekend on the experiment, and unfortunately it's tomorrow and I still don't have a way to get peak width on the xcalibur. I'm hoping I don't get an evil eye if I tell them to calculate it manually with a ruler on the screen.

Very grateful for any help,

Thanks !

Re: peak width software help (xcalibur, and totalchrom)

Posted: Tue Feb 19, 2013 2:35 pm
by aceto_81
I think http://sjsupport.thermofinnigan.com/tec ... CAL_GS.pdf should get you started ;-)
Take a look at the report section, and figure out how to get a report with your peak properties (eg area, height,..) maybe peak width is in there?
Otherwise: call Thermo?

Good luck

Ace

Re: peak width software help (xcalibur, and totalchrom)

Posted: Sat Feb 23, 2013 5:07 pm
by tom jupille
Assuming your peaks are reasonably symmetrical and you can report out baseline width, the width at half height is 0.59 times the width at baseline.

For a Gaussian peak, baseline width is 4*sigma. Width at half height is 2.35 *sigma.