UnknownProcessor

UnknownProcessor is used by several labs for processing GCMS Scan data for unknown compounds. It can be used for perfume analysis, emission analysis, etc.

UnknownProcessor has been rewritten from scratch and improved on many sides. It is now a super high productivity and standalone tool. It handles 200+ samples with 200+ compounds with ease. Corresponding compounds are lined-up across multiple samples. And that makes reviewing so much more productive.

Some of the function are: Deconvolution, integration, FID and GCMS peak correlation, Retention Index, multi-sample compound lineup, export to Excel, reporting with Excel templates, Toluene equivalent quantitation, FID with GCMS formula quantitation.

Spectrum extraction, library search, FID correlation and Lineup are all done automatic. Your manager will be blown away with the speed of processing from injection to reporting.

An ESTD response/amount or an ISTD (Toluene or another compound) can be used to do semi-quantitation on FID or TIC response.

Corresponding compounds have the same colors througout the application

The information rich chromatography view with many manual functions

And can be viewed in the lineup table.

The lineup table with rich cell information per compound

This is the hit view, the tool where you quickly can review the indentifications and move to the next compound.

And there is a RetentionIndex tool

Several report templates are available. And you can easily modify report templates in Excel.

There is much more. When you are interested, send an Email and we will do a remote demonstration.

Pricing
Single instrument license 7500 euro.

Downloads
PDF training

UnknownProcessor Demo version 1.34 setup

History

DateVersionFixed/Changed
2024-04-021.17ReviewStatus chrom peak dots did not update
Library Limits seems not to work
Lineup automation does not work after deconvolution
Spectrum window anchor plot
Resp% in Lineup Export infinite
2024-06-201.18Removed unused integration parameters from the method
Fixed bugs in Lineup and retain lineup after loading batch
2024-06-261.19Option to exclude hits when RI match fails. Option to hide unidentified lineups
2024-09-091.20Improved the IonChromatogram window, show reference sample
2024-09-101.21 Improved the Spectrum window, show reference sample
2024-09-251.22Add Hit window NIST search button
2024-10-011.23Option to filter not identified peaks in Peak and Lineup view. Lineup view, added Average amount column. Sample view, added Sum Amount column. Library settings, Use max dRI title.
2024-10-041.24Don’t deconvolute on non-selected chromatograms. Much improved spectrum view (show multiple peaks and lineups).
2024-10-081.25Sample group column
Labels of Spectrum View and EIC view
Plot.cs crash: SetScaleLimit
Overlay ref, check with one sample: crash if no ref sample present
Set WellKnown window near to cursor
Fix Set Series, names (!Alkane), CMP Group wrong
Add to library Tentative: appends constantly
SpecWindow Right margin increase
Deconvolution should work only on the selected chromatogram
Added feature for 2 amount level limits in spectra library and peak table
Fixed crash on Extracted Ion view with only one mass
2024-10-081.26Revert deconvolution setting to version 1.21
Peak.Name used for adding to library and RI Calibration instead of Peak.Compound
2024-10-211.27Sample group amount average and RSD%
2024-10-291.28Fixed Sample groups amount average and RSD%
After crash on missing last used data path, fall back to c:\
2024-10-301.29Reorganized the menus
Add mass signal multiplier to correct deconvolution errors: Lineup and Chromatogram views: context menu: Calculate Multiplier
2024-11-131.30Lineup Calculate Multiplier for Deconvolution correction on multiple lineups
2024-11-191.31Improved spectrum window
2024-11-011.32Do not reset Peak ReviewStatus after Accept in Hit Review
2024-11-271.33Add logbook exception on deconvolution error
2024-11-281.34Chromatogram view, added the missing menu item: Delete all selected peaks