Mercurial > repos > mmonsoor > camera_combinexsannos
diff abims_CAMERA_combinexsAnnos.xml @ 8:198b035d4848 draft
planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
author | lecorguille |
---|---|
date | Fri, 07 Apr 2017 07:42:38 -0400 |
parents | 87570e9b71f5 |
children | a3024f51082d |
line wrap: on
line diff
--- a/abims_CAMERA_combinexsAnnos.xml Wed Feb 01 12:24:21 2017 -0500 +++ b/abims_CAMERA_combinexsAnnos.xml Fri Apr 07 07:42:38 2017 -0400 @@ -1,7 +1,7 @@ -<tool id="abims_CAMERA_combinexsAnnos" name="CAMERA.combinexsAnnos" version="2.0.4"> +<tool id="abims_CAMERA_combinexsAnnos" name="CAMERA.combinexsAnnos" version="2.0.6"> <description>Wrapper function for the combinexsAnnos CAMERA function. Returns a dataframe with recalculated annotations.</description> - + <macros> <import>macros.xml</import> </macros> @@ -11,20 +11,24 @@ <command><![CDATA[ @COMMAND_CAMERA_SCRIPT@ - xfunction combinexsAnnos - image_pos $image_pos - image_neg $image_neg + xfunction combinexsAnnos + image_pos '$image_pos' + image_neg '$image_neg' + + variableMetadataOutput '$variableMetadata' - variableMetadataOutput $variableMetadata + pos $pos tol $tol ruleset $ruleset keep_meta $keep_meta - pos $pos tol $tol ruleset $ruleset convert_param $convert_param keep_meta $keep_meta - + convertRTMinute $export.convertRTMinute + numDigitsMZ $export.numDigitsMZ + numDigitsRT $export.numDigitsRT + ]]></command> <inputs> <param name="image_pos" type="data" label="Positive RData ion mode" format="rdata.camera.positive,rdata" help="output file from CAMERA.annotate using a positive polarity mode" /> <param name="image_neg" type="data" label="Negative RData ion mode" format="rdata.camera.negative,rdata" help="output file from CAMERA.annotate using a positive negative mode" /> - + <param name="pos" type="select" label="Returned peaklist polarity mode"> <option value="TRUE" selected="true">positive</option> <option value="FALSE" >negative</option> @@ -32,9 +36,13 @@ <param name="tol" type="integer" value="2" label="Retention time window in seconds" help="[pos] As first step it searches for pseudospectra from the positive and the negative sample within a retention time window" /> <param name="ruleset" type="text" value="1,1" label="Matrix of matching rules" help="[ruleset] Matrix of matching rules. By default, the matrix (1,1) would create the M+H/M-H rule, since the first rule of xsa.pos@ruleset and xsa.neg@ruleset is M+H respectively M-H. Only rules with identical charge can be combined!" /> - <param name="convert_param" type="boolean" checked="false" truevalue="TRUE" falsevalue="FALSE" label="Convert retention time (seconds) rtmed, rtmin and rtmax into minutes"/> <param name="keep_meta" type="boolean" checked="true" truevalue="TRUE" falsevalue="FALSE" label="Keep only the metabolites which match a difference "/> + <section name="export" title="Export options"> + <param name="convertRTMinute" type="boolean" checked="false" truevalue="TRUE" falsevalue="FALSE" label="Convert retention time (seconds) into minutes" help="Convert the columns rtmed, rtmin and rtmax into minutes"/> + <param name="numDigitsMZ" type="integer" value="4" label="Number of decimal places for mass values reported in ions' identifiers." help="A minimum of 4 decimal places is recommended. Useful to avoid duplicates within identifiers" /> + <param name="numDigitsRT" type="integer" value="0" label="Number of decimal places for retention time values reported in ions' identifiers." help="Useful to avoid duplicates within identifiers" /> + </section> </inputs> <outputs> @@ -52,13 +60,18 @@ <param name="pos" value="TRUE"/> <param name="tol" value="2"/> <param name="ruleset" value="1,1"/> + <section name="export"> + <param name="convertRTMinute" value="True"/> + <param name="numDigitsMZ" value="4" /> + <param name="numDigitsRT" value="1" /> + </section> <output name="variableMetadata" file="faahOK.xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv" /> </test> </tests> - - + + <help><![CDATA[ - + @HELP_AUTHORS@ ======================= @@ -100,11 +113,11 @@ ========================= ======================= ===================== ========== Name Output file Format Parameter ========================= ======================= ===================== ========== -xcms.annotatediffreport xset.annotate_POS.RData rdata.camera.positive RData file +xcms.annotatediffreport xset.annotate_POS.RData rdata.camera.positive RData file ------------------------- ----------------------- --------------------- ---------- xcms.annotatediffreport xset.annotate_NEG.RData rdata.camera.positive RData file ========================= ======================= ===================== ========== - + **Downstream tools** +---------------------------+-----------------------------------------+--------+ @@ -128,6 +141,10 @@ | Multivariate PCA, PLS and OPLS +**Place of CAMERA.combinexsannot after XCMS part of the metabolomic workflow** + +.. image:: combinexsannos_workflow_zoom.png + **General schema of the metabolomic workflow** .. image:: combinexsannos_workflow.png @@ -153,12 +170,12 @@ | A tabular file which is similar to the diffreport result , within additional columns containing the annotation results. | For each metabolite (row) : - | the value of the intensity in each sample, fold, tstat, pvalue, anova, mzmed, mzmin, mzmax, rtmed, rtmin, rtmax, npeaks, isotopes, adduct, pcgroup and neg (or pos). Mode + | the value of the intensity in each sample, fold, tstat, pvalue, anova, mzmed, mzmin, mzmax, rtmed, rtmin, rtmax, npeaks, isotopes, adduct, pcgroup and neg (or pos). Mode xset.combinexsAnnos.Rdata | Rdata file, that be used outside Galaxy in R. - + --------------------------------------------------- @@ -192,6 +209,15 @@ Changelog/News -------------- +**Version 2.0.6 - 10/02/2017** + +- IMPROVEMENT: Synchronize the variableMetadata export option with the other tools (xcms.group, xcms.fillpeaks, camera.annotate) + + +**Version 2.0.5 - 22/12/2016** + +- IMPROVEMENT: add the possibility to add a personal Matrix of matching rules (ruleset) + **Version 2.0.4 - 21/04/2016** - UPGRADE: upgrate the CAMERA version from 1.22.0 to 1.26.0 @@ -213,7 +239,7 @@ **Version 2.0.0 - 09/06/2015** -- NEW: combinexsAnnos Check CAMERA ion species annotation due to matching with opposite ion mode +- NEW: combinexsAnnos Check CAMERA ion species annotation due to matching with opposite ion mode ]]></help> @@ -222,5 +248,3 @@ </tool> - -