# HG changeset patch # User lecorguille # Date 1450881033 18000 # Node ID 2fd29f68d90e7f91243d69b64207daf601e70437 # Parent 37b8abfc6adf1f10401092e48927b2d8eaf9cbd0 Uploaded diff -r 37b8abfc6adf -r 2fd29f68d90e report.html --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/report.html Wed Dec 23 09:30:33 2015 -0500 @@ -0,0 +1,74 @@ + + + + +[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
+

+ +

___ XCMS analysis report using Workflow4Metabolomics ___

Samples used:

Function launched:

Information about the xcmsSet object:

Citations:

_ XCMS analysis report using Workflow4Metabolomics _