Assigning fixed time slices for integration

toddc568 · Post by **toddc568** » Thu Jul 31, 2008 5:16 pm

I'm trying to integrate data for an ASTM method. A typical chromatogram is pictured below (this is normal for this analysis). I need to have the integration divide the total area into fixed time slices of 10 seconds over a 40 minute run. Does anyone konow of a way to do this?

If any one knows how or has any suggestions it would be greatly appreciated.

Thanks in advance,

Todd Crossman

Instrumentation Specialist
Chromatographic Specialties Inc.
http://www.chromspec.com
Toll Free: 1-800-267-8103 Ext. 320

Post by **Ivan Vins** » Thu Jul 31, 2008 5:16 pm

Dear Todd,

the integration algorithm in Clarity is designed to detect chromatography peaks, this type of integration is not supported. I will suggest to export the chromatogram to a ASCII text file (can be performed automatically at the end of run using the postrun settings) and perform the integration using Excel or similar spreadsheet.

Please could you let me know some details on the method? We may consider to add some support for it in some future version.

Best regards

Ivan Vins
DataApex

toddc568 · Post by **toddc568** » Thu Jul 31, 2008 5:16 pm

Hi Ivan,

The application is Simulated Distillation. We basically need to plot %Area vs RT. We need to find the RT for 0.5%, 5%, 10%, etc, in increments of 5%.The RT for those specific area percent values is then entered into the formula for a Boiling Point vs RT calibration curve. I've managed to plot this by increasing the integration sensitivity and generating 500-600 (varying and small) slices and plotting the area%. The new method provided by the customer requires fixed time slices of no more than 12 seconds.

We hadn't seen any reference to SimDist modules for Clarity and assumed that if we needed software we would have to go to a third party. If you do have anything along these lines (or anyhting being developed and need a Beta tester:) we may be interested.

As you suggested, I'll look at exporting as an ASCII and see what I can do with it. I currently copy and paste the results into EXCEL to do the calculations. Maybe I can do it all from the ASCII file.

Thanks

Todd Crossman

Instrumentation Specialist
Chromatographic Specialties Inc.
http://www.chromspec.com
Toll Free: 1-800-267-8103 Ext. 320

Post by **Ivan Vins** » Thu Jul 31, 2008 5:16 pm

Dear Todd,

thank you for the info. I have checked the options and there is commercial package SimDist available for processing of the exported *.cdf files, it seems to be frequently used with other software packages like Chemstation or EZ-Chrom. It can be obtained from

Ascent SimDist
http://www.wasson-ece.com/SimulatedDistillation.html

SimDist 2000
http://www.envantage.org/content/software_simdist.asp
(downloadable demo available on those pages).

Best regards

Ivan Vins
DataApex, Ltd.
Podohradska 1
153 00 Praha 5
Czech Republic

Phone: +420 251 013 404, +420 251 013 400
Fax: +420 251 013 401

www.dataapex.com

PS: Comparing its price to Clarity, we may be tempted to develop something for this purposes ourselves.

Post by **Zdenek Telicka** » Tue Jun 07, 2011 5:34 pm

Clarity supports SimDis Expert® 9 from Separation Systems. Clarity can be configured to automatically open and process measured chromatograms in SimDis Expert.

For more details, see the datasheet Using SIMDIS Expert® 9 (Separation Systems) with Clarity.

Zdenek Telicka
DataApex