Mercurial > repos > jcb-mpl > eics_merged
comparison eics_merged.xml @ 5:e2541ea9c53c draft default tip
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author | jcb-mpl |
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date | Thu, 12 May 2022 12:54:52 +0000 |
parents | 5bad8d4318d5 |
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4:6f048a6b6b26 | 5:e2541ea9c53c |
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1 <tool id="2021_05_eics_merged" name="EICs-synchronized -> EICs-merged" version="0.0.1"> | |
2 | |
3 <description> </description> | |
4 | |
5 | |
6 <requirements> | |
7 <requirement type="package" >scilab</requirement> | |
8 </requirements> | |
9 | |
10 | |
11 <stdio> | |
12 <exit_code range="1:" level="fatal" /> | |
13 </stdio> | |
14 | |
15 | |
16 <command> | |
17 <![CDATA[ | |
18 $__root_dir__/packages/scilab-*/bin/scilab-cli -nb -quit -f ${script_file} | |
19 ]]> | |
20 </command> | |
21 | |
22 | |
23 <configfiles> | |
24 <configfile name="script_file"> | |
25 <![CDATA[ exec("$__tool_directory__/src/mz_8_merge_list_x_tr_mz4.sci",-1); ... | |
26 lasterror(); ... | |
27 load("${list_eic4_files}"); ... // the variable name is also: list_eic4_files | |
28 [x_tr_mz4,ppm_coupe]=mz_8_merge_list_x_tr_mz4(list_eic4_files); ... | |
29 div2tab(x_tr_mz4,"${merged_x_tr_mz4file}"); ... | |
30 if ~isempty(lasterror(%f)) then ... | |
31 write(0,lasterror()); ... | |
32 end; ]]> | |
33 </configfile> | |
34 </configfiles> | |
35 | |
36 | |
37 <inputs> | |
38 <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 "/> | |
39 </inputs> | |
40 | |
41 | |
42 <outputs> | |
43 <data name="merged_x_tr_mz4file" format="tabular" label="EICs-merged"/> | |
44 </outputs> | |
45 | |
46 | |
47 <tests> | |
48 | |
49 <test> | |
50 <param name="list_eic4_files" value="EICs-synchronized.mat"/> | |
51 <output name="merged_x_tr_mz4file" file="EICs-merged.tab" compare="sim_size" delta="1000" /> | |
52 </test> | |
53 | |
54 </tests> | |
55 | |
56 <help> | |
57 | |
58 | |
59 .. class:: infomark | |
60 | |
61 **Authors** Jean-Claude Boulet (INRAE) | |
62 | |
63 | |
64 --------------------------------------------------- | |
65 | |
66 ========================== | |
67 MEAN OF SEVERAL EICS FILES | |
68 ========================== | |
69 | |
70 ----------- | |
71 Description | |
72 ----------- | |
73 | |
74 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. | |
75 | |
76 This function merges them into a single (RT x m/z) dataset | |
77 | |
78 | |
79 ----------- | |
80 Input files | |
81 ----------- | |
82 | |
83 **Select Xdata** | |
84 | |
85 At least two datasets, gathered into a single HDF5-scilab .dat file issued from the function: EICs-individual - EICs-synchronized | |
86 | |
87 ------------ | |
88 Output files | |
89 ------------ | |
90 | |
91 **EICs-merged** | |
92 | |
93 The merged EICs in a tabular file. | |
94 | |
95 | |
96 </help> | |
97 | |
98 | |
99 <citations> | |
100 | |
101 </citations> | |
102 | |
103 </tool> |