Peak Detection

From OpenChrom-Wiki
Jump to: navigation, search

Peak detection modes

OpenChrom offers several methods to detect peaks.

  • Automated peak detection
  • Manual peak detection
  • Peak detection via AMDIS deconvolution

Automated peak detection

Manual peak detection

Peak detection via AMDIS deconvolution

There are two possibilities to utilize the AMDIS deconvolution and peak detection capabilities:

1. Automated triggering of AMDIS from within OpenChrom.
2. Extraction of peak detection results from previously generated AMDIS ELU files

Note, that the approach 1. currently only works with older AMDIS versions (e.g. the version "Aug 13 2008" contained in the NIST demo),
but in order to perform a batchwise processing there is a workaround, which is described below.