Peak finder

Description

This algorithm is a parallelized version of the Peak finder algorithm. If RT correction is needed, perform it prior to this algorithm or use the normal Peak finder.

Following alignment, the resulting peak list may contain missing peaks as a product of a deficient peak detection or a mistake in the alignment of different peak lists.

The fact that one peak is missing after the alignment does not imply that the peak does not exits. In most cases it is present but was undetected by the previous algorithms.

This algorithm fills the gaps in the peak list when it is possible according with the parameters defined by the user. The most crucial parameters are "m/z tolerance" and "RT tolerance" which define the window where the algorithm should find the new peak. It is centered in the m/z average and retention time average of the source peak list. Once the best candidate is found inside the window, its intensity and its shape in RT direction is also checked.

It can also add a previous correction of the retention time in the case it is needed. It will change the position of the defined window depending on the prediction of a RT model created using all the already aligned peaks in each pair.

Method parameters

Name suffix
Suffix to be added to the peak list name.
Intensity tolerance
This value sets the maximum allowed deviation from expected shape of a peak in chromatographic direction.
M/Z tolerance
This value sets the range, in terms of m/z, to search for possible peak in the raw data. Maximum allowed m/z difference.
Retention time tolerance type
Its value can be relative or absolute. The next parameters should be fill depending on the value chosen in this parameter.
Absolute RT tolerance
This value sets the range, in terms of retention time, to search for possible peak in the raw data. Maximum allowed absolute RT difference.
Relative RT tolerance
This value sets the range, in terms of retention time, to search for possible peak in the raw data. Maximum allowed relative RT difference.

New peak list showing the filled peaks with a yellow mark.