Mercurial > repos > pieterlukasse > prims_metabolomics

comparison msclust.xml @ 30:60b53f2aa48a

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Small fixes, added microminutes support to MsClust, removed TIC or MsClust output
author pieter.lukasse@wur.nl
date Sat, 30 Aug 2014 16:14:18 +0200
parents 0d534bce8e84
children 31e6e2242d33
comparison
equal deleted inserted replaced
29:0d534bce8e84 30:60b53f2aa48a
62 -peakIntensityCorrectionAlgorithm CORRELATION_BASED 62 -peakIntensityCorrectionAlgorithm CORRELATION_BASED
63 #end if 63 #end if
64 64
65 </command> 65 </command>
66 <inputs> 66 <inputs>
67 <!-- <param name="rankingWeightConfig" type="text" area="true" size="11x70" label="NB - TEST VERSION" 67
68 value="VERSION BEING TESTED AT THIS MOMENT...NOT READY FOR USE..."/>
69 -->
70 <param name="inputPeaks" type="data" format="txt" label="Ion-wise aligned data (e.g. MetAlign output data)" /> 68 <param name="inputPeaks" type="data" format="txt" label="Ion-wise aligned data (e.g. MetAlign output data)" />
71 <param name="dataType" type="select" size="30" label="Data type"> 69 <param name="dataType" type="select" size="30" label="Data type">
72 <option value="gcms" selected="true">GC-MS</option> 70 <option value="gcms" selected="true">GC-MS</option>
73 <option value="lcms">LC-MS</option> 71 <option value="lcms">LC-MS</option>
74 </param> 72 </param>
220 .. image:: msclust_summary.png 218 .. image:: msclust_summary.png
221 219
222 220
223 ----- 221 -----
224 222
223 **Input**
224
225 The input file should contain the following columns (in this order), followed by the sample intensity columns (one column with the
226 intensity value for each sample):
227
228 *ScanNR
229 *Ret(umin)
230 *Mass(uD)
231 *(Optional)retentionMean
232 *(only required if retentionMean is present)retentionSD
233 *N sample intensity columns...
234
235 -----
236
225 **Output** 237 **Output**
226 238
227 This tools returns a number of ouptut files and a small report. 239 This tools returns a number of ouptut files and a small report.
228 240
229 **Parameters index** 241 **Parameters index**