processStandards: Process input files containing raw data for pure standards.

In rwehrens/metaMS: MS-based metabolomics annotation pipeline

Process input files containing raw data for pure standards.

Description

Peak picking and further processing for raw data of pure standards, including CAMERA processing. This function is not meant to be called directly - use createSTDdbLC or createSTDdbGC instead.

Usage

processStandards(stdInfo, settings, polarity = NULL, nSlaves)

Arguments

stdInfo	Object describing the pure standards: a data.frame containing, e.g., the name of the file, the name of the standard, descriptors like CAS or Chemspider IDs, etcetera.
settings	Settings list, containing sublists for peak picking and CAMERA grouping (GC-MS) or annotation (LC-MS).
polarity	Polarity of the analysis (used for CAMERA). Possible values are “positive” or “negative”. Ignored for GC-MS.
nSlaves	Number of cores to be used in peak picking.

Value

A list of CAMERA objects resulting from the analysis of the standard injections listed in the stdInfo table.

Author(s)

Ron Wehrens and Pietro Franceschi

See Also

xcmsSet, runCAMERA

Examples

## Example of results
  data(GCresults) ## pre-compiled results
  GCresults$PeakTable

rwehrens/metaMS documentation built on Feb. 27, 2023, 5:13 a.m.