detailed differences information
Comparing two any chromatograms or the searched chromatogram with an library chromatogram gives a complex matrix of information which includes unmatched or matched peaks and their match quality.
MSChromSearch introduces an innovative way of displaying this multitude of information at a glance in a colorful way that can be easily read and interpreted.
This representation contains a time x time axis graph and a color sheme for each matched and unmatched peaks. Found differences or similarities can be further examined by viewing their mass spectra or directly sending it to the NIST library browser.
An overlay mode allows to compare chromatograms in "the classical way". Even data of different data systems can be compared with ease.
Peak match display
A second innovative chromatogram display is the "Chromatogram Match". It shows two stacked compared chromatograms and the association between the matched peaks. How peaks are matched can be set throuout the program by different search options. The most important options are matching by Retention Time, Retention Index and/or Mass Spectra.
The peak match is shown by colored lines, the color indicating the qualitiy of the peak math. Various color scales are available, including scales for color disabled users.
A simple screening function is also included in MSChromSeach For this approach a set of defined mass spectra is chosen from either any chromatogram or by exporting from the NIST. For every peak in the chromatogram the match between these mass spectra and the mass spectrum of the peak is calculated. Only those peaks that have considerable MS matches can be one of the target compounds.