[W4M] XCMS analysis summary

sample	filename	md5sum^*
ko15	./ko15.CDF	4698c36c0b3af007faf70975c04ccf2a
ko16	./ko16.CDF	afaeed94ced3140bc042d5ab6aeb16c1
wt15	./wt15.CDF	d58a27fad7c04ddddb0359ddc2b7ba68
wt16	./wt16.CDF	29654e9f8ad48c1fbe2a41b9ba578f6e

^*The program md5sum is designed to verify data integrity. So you can check if the data were uploaded correctly or if the data were changed during the process.

Function launched:

timestamp^***	function	argument	value
170203-11:04:42	xcmsSet	nSlaves	1
		method	centWave
		ppm	25
		peakwidth	2050
170203-11:05:21	xcmsSet	nSlaves	1
		method	centWave
		ppm	25
		peakwidth	2050
170203-11:06:21	xcmsSet	nSlaves	1
		method	centWave
		ppm	25
		peakwidth	2050
170203-11:06:59	xcmsSet	nSlaves	1
		method	centWave
		ppm	25
		peakwidth	2050
170203-14:38:53	group	method	density
		sleep	0.001
		minfrac	0.3
		bw	5
		mzwid	0.01
		max	50
170203-14:51:16	retcor	method	peakgroups
		smooth	loess
		extra	1
		missing	1
		span	0.2
		family	gaussian
		plottype	deviation
170203-15:27:58	group	method	density
		sleep	0.001
		minfrac	0.3
		bw	5
		mzwid	0.01
		max	50
170203-15:44:50	fillPeaks	method	chrom
		convertRTMinute	FALSE
		numDigitsMZ	4
		numDigitsRT	1
		intval	into

^***timestamp format: yymmdd-hh:mm:ss

Informations about the xcmsSet object:

An "xcmsSet" object with 4 samples

Time range: 2506-4484 seconds (41.8-74.7 minutes)
Mass range: 200.1-600 m/z
Peaks: 32720 (about 8180 per sample)
Peak Groups: 8157 
Sample classes: KO, WT 

Peak picking was performed on MS1.
Profile settings: method = bin
                  step = 0.1

Memory usage: 4.25 MB

Citations:

To cite the XCMS package in publications use:
- Smith, C.A. and Want, E.J. and O'Maille, G. and Abagyan,R. and Siuzdak, G.XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching and identification, Analytical Chemistry, 78:779-787 (2006)
- Ralf Tautenhahn, Christoph Boettcher, Steffen Neumann: Highly sensitive feature detection for high resolution LC/MS BMC Bioinformatics, 9:504 (2008)
- H. Paul Benton, Elizabeth J. Want and Timothy M. D. Ebbels Correction of mass calibration gaps in liquid chromatography-mass spectrometry metabolomics data Bioinformatics, 26:2488 (2010)
To cite the CAMERA package in publications use:
- Kuhl, C., Tautenhahn, R., Boettcher, C., Larson, T. R. and Neumann,S. CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets. Analytical Chemistry, 84:283-289 (2012)
To cite the Workflow4Metabolimics (W4M) project in publications use:
- Franck Giacomoni, Gildas Le Corguillé, Misharl Monsoor, Marion Landi, Pierre Pericard, Mélanie Pétéra, Christophe Duperier, Marie Tremblay-Franco, Jean-François Martin, Daniel Jacob, Sophie Goulitquer, Etienne A. Thévenot and Christophe Caron (2014). Workflow4Metabolomics: A collaborative research infrastructure for computational metabolomics. Bioinformatics doi:10.1093/bioinformatics/btu813

_ XCMS analysis summary using Workflow4Metabolomics _

Samples used:

Function launched:

Informations about the xcmsSet object:

Citations:

___ XCMS analysis summary using Workflow4Metabolomics ___

Samples used:

Function launched:

Informations about the xcmsSet object:

Citations:

_ XCMS analysis summary using Workflow4Metabolomics _