# HG changeset patch # User lecorguille # Date 1450881044 18000 # Node ID 9f2673de006a118a4b52db174f877944ec252f6f # Parent 2fd29f68d90e7f91243d69b64207daf601e70437 Deleted selected files diff -r 2fd29f68d90e -r 9f2673de006a report.html --- a/report.html Wed Dec 23 09:30:33 2015 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,74 +0,0 @@ - - - - -[W4M] XCMS analysis report - - - -

_ XCMS analysis report using Workflow4Metabolomics _

Samples used:

- - -

sample	filename
HU_neg_051	sacuri//bio2/HU_neg_051.mzXML
HU_neg_060	sacuri//bio2/HU_neg_060.mzXML
HU_neg_017	sacuri//bio/HU_neg_017.mzXML
HU_neg_028	sacuri//bio/HU_neg_028.mzXML
Blanc04	sacuri//blank/Blanc04.mzXML
Blanc06	sacuri//blank/Blanc06.mzXML

Function launched:

- - - - - - - - - - - - - - - -

timestamp (ymd-h:m:s)	function	argument	value
151221-16:20:54	xcmsSet	nSlaves	1
		method	matchedFilter
		step	0.01
		fwhm	30
151221-16:37:00	group	method	density
		sleep	0.001
		minfrac	0.5
		bw	30
		mzwid	0.25
151221-16:37:20	fillPeaks	method	chrom

Information about the xcmsSet object:

-An "xcmsSet" object with 6 samples
-
-Time range: 16.3-1138.9 seconds (0.3-19 minutes)
-Mass range: 61.9883-481.2446 m/z
-Peaks: 1799 (about 300 per sample)
-Peak Groups: 289 
-Sample classes: bio, bio2, blank 
-
-Profile settings: method = bin
-                  step = 0.01
-
-Memory usage: 0.421 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
-

- - diff -r 2fd29f68d90e -r 9f2673de006a repository_dependencies.xml --- a/repository_dependencies.xml Wed Dec 23 09:30:33 2015 -0500 +++ b/repository_dependencies.xml Wed Dec 23 09:30:44 2015 -0500 @@ -1,4 +1,4 @@ - +

___ XCMS analysis report using Workflow4Metabolomics ___

Samples used:

Function launched:

Information about the xcmsSet object:

Citations:

_ XCMS analysis report using Workflow4Metabolomics _