Option | Value | Note: |
Name | ||
Comment | ||
Polarity | data acquired in positive or negative mode ? | |
Retention time format | show the retention times in results tables and figures in minutes or seconds |
Method: | ||
Option | Value | Note: |
Method: | ||
Option | Value | Note: |
Option | Value | Note: |
bw | Allowable retention time deviations, in seconds. In more detail: bandwidth (standard deviation or half width at half maximum) of gaussian smoothing kernel to apply to the peak density chromatogram | |
minfrac | minimum fraction of samples necessary in at least one of the sample groups for it to be a valid group | |
mzwid | width of overlapping m/z slices to use for creating peak density chromatograms and grouping peaks across samples | |
minsamp | minimum number of samples necessary in at least one of the sample groups for it to be a valid group | |
max | maximum number of groups to identify in a single m/z slice |
Option | Value | Note: |
Statistical test | Statistical test method: Welch t-test (unequal variances) or Wilcoxon Rank Sum test | |
Perform paired test | VIEW PAIRS1 | The selected statistical test is performed as a paired test. The sample pairs need to be specified. |
Perform post-hoc analysis | Perform post-hoc analysis [multigroup only] |
Option | Value | Note: |
ppm | ppm error | |
m/z absolute error | m/z absolute error | |
[not to be displayed] | default | |
Search for | Search for 1.) just isotopic features or 2.) isotopic features and adducts formations, dimers, trimers, neutral losses, etc. WARNING: searching for all adducts can increase the total processing time by approximately 50 % |
Option | Value | Note: |
Option | Value | Note: |
EIC width | Default width for extracted ion chromatograms in seconds |
Option | Value | Note: |
Correct mass calibration gaps | Correction of mass calibration gaps - subtract LockMass scans from data. Only applicable for Waters instruments ! | |
Bypass file sanity check | All uploaded files are normally checked for different types of errors and inconsistencies. This option disables the file sanity check. Unfortunately necessary for certain types of GC/MS data when used with centWave. Only disable this check if you know what you are doing! |