Rows filter

Description

This module deletes all rows in a selected peak list that do not meet the requirements defined by the user. These requirements can be the minimum number of peaks in the row, the minimum number of peaks in an isotope pattern, peak duration or a m/z vs retention time window. When an aligned peak list, i.e. multiple peaks per row, is filtered then the average of each row's peak duration, m/z and retention time values are used to filter the row.

Method parameters

Name suffix
This is the suffix used to identify the new filtered peak list in Peak list frame of the desktop.
Minimum peaks in a row
Minimum number of peaks in a row required to not remove it.
Minimum peaks in an isotope pattern
Minimum number of peaks in a row's isotope pattern required to not remove it.
m/z range
Range of acceptable (average) m/z values in a row required to not remove it.
Retention time range
Range of acceptable (average) retention times in a row required to not remove it.
Peak duration range
Range of acceptable (average) peak durations in a row required not to remove it.
Chromatographic FWHM
Range of acceptable FWHM in a row required not to remove it.
Charge
Range of Charge in a row required not to remove it. Please run isotopic peaks grouper first
Kendrick mass defect
Filter features in a Kendrick mass defect range. For more details see Kendrick mass defect setup.
Filtering by groups
If the checkbox is selected samples will be separated by groups before filtering the peaks and the same filtering criteria will be applied for each group.
Parameter
Paremeter defining the group of each sample. They have to be defined by the user using "Project-> Set sample parameters.." module.
Only identified?
If the checkbox is selected, only identified rows will be retained.
Text in identity
Only rows that contain this text in their peak identity field will be retained.
Text in comment
Only rows that contain this text in their comment field will be retained.
Remove source peak list after filtering
If the checkbox is selected, the source peak list will be removed and the filtered version remains.

Kendrick mass defect setup

Kendrick mass defect
Set Kendrick mass defect range
Kendrick mass base
Enter molecular formula of the repeating unit used as Kendrick mass base
Shift
Set shift value
Charge
Set charge value
Divisor
Set divisor value
Use remainder of Kendrick mass
Select check box to use RKM instead if KMD
All parameters can be derived from the Kendrick mass plot visualizer to e.g. isolate all features of an observed cluster (see figure)