Mercurial > repos > jcb-mpl > eics_merged
changeset 2:5bad8d4318d5 draft
Uploaded
author | jcb-mpl |
---|---|
date | Thu, 12 May 2022 12:13:56 +0000 |
parents | 5d0e02a75d04 |
children | b82550e18244 |
files | eics_merged.xml |
diffstat | 1 files changed, 103 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/eics_merged.xml Thu May 12 12:13:56 2022 +0000 @@ -0,0 +1,103 @@ +<tool id="2021_05_eics_merged" name="EICs-synchronized -> EICs-merged" version="0.0.1"> + + <description> </description> + + + <requirements> + <requirement type="package" >scilab</requirement> + </requirements> + + + <stdio> + <exit_code range="1:" level="fatal" /> + </stdio> + + + <command> + <![CDATA[ + $__root_dir__/packages/scilab-*/bin/scilab-cli -nb -quit -f ${script_file} + ]]> + </command> + + + <configfiles> + <configfile name="script_file"> + <![CDATA[ exec("$__tool_directory__/src/mz_8_merge_list_x_tr_mz4.sci",-1); ... + lasterror(); ... + load("${list_eic4_files}"); ... // the variable name is also: list_eic4_files + [x_tr_mz4,ppm_coupe]=mz_8_merge_list_x_tr_mz4(list_eic4_files); ... + div2tab(x_tr_mz4,"${merged_x_tr_mz4file}"); ... + if ~isempty(lasterror(%f)) then ... + write(0,lasterror()); ... + end; ]]> + </configfile> + </configfiles> + + + <inputs> + <param name="list_eic4_files" format="mat" type="data" label="Select X data" help="a list of EIC-synchronized files with all the same mz values "/> + </inputs> + + + <outputs> + <data name="merged_x_tr_mz4file" format="tabular" label="EICs-merged"/> + </outputs> + + + <tests> + + <test> + <param name="list_eic4_files" value="EICs-synchronized.mat"/> + <output name="merged_x_tr_mz4file" file="EICs-merged.tab" compare="sim_size" delta="1000" /> + </test> + + </tests> + +<help> + + +.. class:: infomark + +**Authors** Jean-Claude Boulet (INRAE) + + +--------------------------------------------------- + +========================== +MEAN OF SEVERAL EICS FILES +========================== + +----------- +Description +----------- + +Several EIC files correspond to the same sample (e.g. repetitions). They share the same m/z values, not necessary the same retention times even if their RTi should be close. + +This function merges them into a single (RT x m/z) dataset + + +----------- +Input files +----------- + +**Select Xdata** + +At least two datasets, gathered into a single HDF5-scilab .dat file issued from the function: EICs-individual - EICs-synchronized + +------------ +Output files +------------ + +**EICs-merged** + +The merged EICs in a tabular file. + + +</help> + + +<citations> + +</citations> + +</tool>