NPCompass

FUNEL

This MS1 based module filters control signals from samples of interest and performs the exact mass calculation and compound library search. The output is a peak table containing MS1 features after filtering.

Method to detect peaks used by XCMS. Default is centWave.

Parameters

If true, features (same m/z at same retention time) have to be identified as the same isotope peak (e.g. both are M+1) to be considered as the same signal for feature dereplication.

Signal intensity threshold for controls

Signal intensity threshold for samples

ppm

DeltaMZ

Min peak width

Max peak width

rtCheck

Noise level for controls

Noise level for samples

If true, adducts and fragments are annotated for samples of interest. Default is true.

SNR threshold

perfwhm

If true, rigorous filtering will be performed to ensure features that can be found in control groups are removed from samples of interest. This slows down the computation and may remove some true hits. Default is true.

RT tolerance

Fold change filter

Intensity threshold for adducts calculation

Whether performing context-based adducts/fragments calculation to identify artifacts other than those involving sodium, potassium, water, ammonia, and formic acid currently covered by common rules. The default value is true.

MS data collected in positive mode or negative mode. Default is positive.

Select the compound library to search. Default is None.

Data files for control

Choose your single or multiple control data files (upload your files in the “files” module, support .mzXML format)

Data files for sample of interest

Choose your single or multiple data files for samples of interest (upload your files in the “files” module, support .mzXML format)

Task Name