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Subtract blank chromatogram

It would be great to subtract a blank chromatogram from a regular chromatogram. Sometimes, heavy background signals convolute the ineteresting chromatographic data, hence it would be great to remove them automatically. Workflow: Subtract the chromatograms scan by scan. The method should be applicable on MSD as well as FID chromatograms. Take each scan and subtract the intensity of its ions from the intensities of the ...more »

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R Integration

It would be great to have the possibility to run commands/calculations using R within OpenChrom. A flexible editor/bridge to R would be great and thus would increase the possibilities and the flexibility of OpenChrom.

 

R:

http://www.r-project.org

 

A good example for an integration of R could be Bio7:

http://bio7.org

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Scripting Environment for Chromatograms

It would be great to have scripting capabilities within OpenChrom. Users shall be able to write their own scripts to evaluate chromatograms. The scripting editor should support: * Sytax highlighting * Auto-completion * Error display A possible candiate for the integration could be the EASE project: https://projects.eclipse.org/proposals/eclipse-advanced-scripting-environment-ease If possible, several languages shall ...more »

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Working with peaks of selected ions

In single-quadrupole mass spectrometry for example, it is a common task to detect and integrate peaks of single ions for quantification and qualification. Therefore, it might be very useful to have that functionality in OpenChrom without having to remove every ion apart from the one of interest manually.

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Hydrocarbon Analysis

When analysing hydrocarbons, to enable the production of simulated distillation analysis, the chromatogram is sliced into areas of fixed time width intervals that allows for the cumulative area (mass) fraction to be calculated at certain points (i.e. every 5%. This could be a useful addition to OpenChrom, although it would probable have a very niche use

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De-skewing mass spectra of a chromatogram

Quadrupole instruments show a skewing effect at the beginning and the end of each peak. It would be great to compensate this skewing by applying a filter.

 

The skew depends on the scan direction of the instrument. Some instruments scan high to low, some low to high. Preferably, the scan direction shall be detected automatically.

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Displaying 1 - 15 of 16 Ideas