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author | jcb-mpl |
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date | Thu, 12 May 2022 12:12:43 +0000 |
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<tool id="2021_05_eics_compression" name="MS-centroid -> compression" version="0.0.1"> <description> by a factor k </description> <requirements> <requirement type="package" version="6.0.2">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_1_out_of_k.sci",-1); ... exec("$__tool_directory__/src/mz_1_merge_by_k.sci",-1); ... lasterror(); ... k=${k}; ... option=${option}; ... load("${resbary_in}"); ... // the variable name must be resbary if option==1 then ... resbary_out=mz_1_out_of_k(resbary,k); ... else ... resbary_out=mz_1_merge_by_k(resbary,k); ... end; ... if ~isdef('resbary_out') then ... disp('resbary_out is not defined'); ... end; ... resbary=resbary_out; ... // the variable name must be resbary save("${resbary_out}",'resbary'); ... if ~isempty(lasterror(%f)) then ... write(0,lasterror()); ... end; ]]> </configfile> </configfiles> <inputs> <param name="resbary_in" format="mat" type="data" label="MS-centroid" help="contains the fields .time et .mzdata" /> <param name="k" value="1" type="integer" min="1" max="100" label="k" help="a number of RTs" /> <param name="option" value="2" type="integer" min="1" max="2" label="option" help="1= 1 out of k RT; 2= mean of k RT" /> </inputs> <outputs> <data name="resbary_out" format="mat" label="MS-compressed" /> </outputs> <tests> <test> <param name="resbary_in" value="VI2016_AC_4Areduit_1centroide.mat"/> <param name="k" value="3"/> <param name="option" value="1"/> <output name="resbary_out" file="VI2016_AC_4Acentroide-1_k1outof3.mat" compare="sim_size" delta="1000" /> </test> <test> <param name="resbary_in" value="VI2016_AC_4Areduit_1centroide.mat"/> <param name="k" value="3"/> <param name="option" value="2"/> <output name="resbary_out" file="VI2016_AC_4Acentroide-1_k_3mean.mat" compare="sim_size" delta="1000" /> </test> </tests> <help> **Authors** Jean-Claude Boulet (INRAE). --------------------------------------------------- ================================= COMPRESSION OF A CENTROID MS DATA ================================= ----------- Description ----------- This function reduces by a factor k the number of RTs and associated mass spectra. ----- Input ----- **centroid MS data** A centroid MS data, at the HDF5-scilab format. **k** The compression factor. **option** - 1: selects one out of k RTs and associated ms. - 2: merges by k the RTs and associated ms ------- Outputs ------- **compressed MS data** A centroid MS data, similar to the input, but with k times less RTs and ms. </help> <citations> </citations> </tool>