Mercurial > repos > jcb-mpl > eics_synchronization
changeset 2:05a5f68935f2 draft default tip
Deleted selected files
author | jcb-mpl |
---|---|
date | Thu, 12 May 2022 12:14:45 +0000 |
parents | 807674410cf6 |
children | |
files | 2018_07_mz_synchronized.xml |
diffstat | 1 files changed, 0 insertions(+), 139 deletions(-) [+] |
line wrap: on
line diff
--- a/2018_07_mz_synchronized.xml Thu May 12 12:14:37 2022 +0000 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,139 +0,0 @@ -<tool id="2021_05_eics_synchronized" name="EICs-individual -> EICs-synchronized" version="0.0.1"> - - <description> for a series of close mass spectra, e.g. repetitions </description> - - - <requirements> - <requirement type="package" version="6.0.2">scilab</requirement> - </requirements> - - - <stdio> - <exit_code range="1:" level="fatal" /> - </stdio> - - - <command> - <![CDATA[ - if [ -d $__root_dir__/packages/scilab-6.1.0 ]; then $__root_dir__/packages/scilab-6.1.0/bin/scilab-cli -nb -quit -f $* < ${script_file}; else scilab-cli -nb -quit -f $* < ${script_file}; fi - ]]> - </command> - - - <configfiles> - <configfile name="script_file"> - <![CDATA[ exec("$__tool_directory__/src/mz_4_extract_final_mz_v3.sci",-1); ... - lasterror(); ... - col=list(); ... - #for $i, $s in enumerate( $series ) - x_tr_mz3=glx_tab2div("${s.Xdata.file_name}"); ... - ... // load("${s.Xdata.file_name}"); ... 22avril21 - x${i}=x_tr_mz3; ... - col(${i}+1)=x${i}; ... - #end for - ... - [list_eic4_files,mz4_stats]=mz_4_extract_final_mz_v3(col,${delta_mz}); ... - save("${list_eic4_files}",'list_eic4_files'); ... - save("${mz4_stats}",'mz4_stats'); ... - if ~isempty(lasterror(%f)) then ... - write(0,lasterror()); ... - end; ]]> - </configfile> - </configfiles> - - - <inputs> - <repeat name="series" title="dataset" min="2"> - <param name="Xdata" format="tabular" type="data" label="Input file" help="EICs-individual files"/> - </repeat> - <param name="delta_mz" value="0.0024" type="float" label="Threshold for m/z" /> - </inputs> - - - <outputs> - <data name="list_eic4_files" format="mat" label="EICs-synchronized"/> - <data name="mz4_stats" format="mat" label="stats on EIC-shared"/> - </outputs> - - - <tests> - - <test> - <param name="Xdata" value="EICs-individual-1_k3mean.tab"/> - <param name="Xdata" value="EICs-individual-2_k3mean.tab"/> - <param name="Xdata" value="EICs-individual-3_k3mean.tab"/> - <param name="delta_mz" value="0.0024"/> - <output name="list_eic4_files" file="EICs-synchronized.mat" compare="sim_size" delta="1000" /> - </test> - - </tests> - - -<help> - - -.. class:: infomark - -**Author** Jean-Claude Boulet (INRAE) - - ---------------------------------------------------- - -================================================= -EXTRACTS THE EICS SHARED BY A SERIES OF EIC FILES -================================================= - ------------ -Description ------------ - -The EICs shared by a series of EICs-individual are identified. - -Then, each of the initial EiCs-individual is reprocessed as to keep only the EICs shared by all the series. - -The main application is the synchronization of the EICs of repetitions. - - - ------------ -Input files ------------ - -At least two EICs-individual - ----------- -Parameters ----------- - -**Threshold for m/z** - -Two m/z values whose difference is larger than this threshold will be considered as different. - -Default value: 0.0024 - - ------------- -Output files ------------- - - -**EICs-shared** - -The input files with the same EICs. - -A list at the HDF5-scilab .dat format. - - - -**stats on EICs-shared** - -Some calculations for the following processings. - -</help> - - -<citations> - -</citations> - -</tool>