Mercurial > repos > bgruening > openms
diff SpectraMerger.xml @ 0:3d84209d3178 draft
Uploaded
| author | bgruening |
|---|---|
| date | Fri, 10 Oct 2014 18:20:03 -0400 |
| parents | |
| children | 6ead64a594bd |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/SpectraMerger.xml Fri Oct 10 18:20:03 2014 -0400 @@ -0,0 +1,62 @@ +<?xml version='1.0' encoding='UTF-8'?> +<tool id="SpectraMerger" name="SpectraMerger" version="1.12.0"> + <description>Merges spectra (each MS level separately), increasing S/N ratios.</description> + <macros> + <token name="@EXECUTABLE@">SpectraMerger</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>SpectraMerger + +-in ${param_in} +-out ${param_out} +-merging_method ${param_merging_method} +-threads \${GALAXY_SLOTS:-24} +-algorithm:block_method:ms_levels ${param_ms_levels} +-algorithm:block_method:rt_block_size ${param_rt_block_size} +-algorithm:block_method:rt_max_length ${param_rt_max_length} +-algorithm:precursor_method:mz_tolerance ${param_mz_tolerance} +-algorithm:precursor_method:rt_tolerance ${param_rt_tolerance} +#if $adv_opts.adv_opts_selector=='advanced': + -algorithm:mz_binning_width ${adv_opts.param_mz_binning_width} + -algorithm:mz_binning_width_unit ${adv_opts.param_mz_binning_width_unit} + -algorithm:sort_blocks ${adv_opts.param_sort_blocks} +#end if +</command> + <inputs> + <param name="param_in" type="data" format="mzML" optional="False" label="Input mzML file." help="(-in)"/> + <param name="param_merging_method" type="select" optional="True" value="block_method" label="Method of merging which should be used." help="(-merging_method)"> + <option value="precursor_method">precursor_method</option> + <option value="block_method">block_method</option> + </param> + <param name="param_ms_levels" type="text" min="1" optional="True" size="20" value="1" label="Merge spectra of this level. All spectra with other MS levels remain untouched." help="(-ms_levels)"/> + <param name="param_rt_block_size" type="integer" min="1" optional="True" value="5" label="Maximum number of scans to be summed up." help="(-rt_block_size)"/> + <param name="param_rt_max_length" type="float" min="0.0" max="1e+11" optional="True" value="0.0" label="Maximum RT size of the block in seconds (0.0 = no size restriction)." help="(-rt_max_length)"/> + <param name="param_mz_tolerance" type="float" min="0.0" optional="True" value="0.0001" label="Max m/z distance of the precursor entries of two spectra to be merged in [Da]." help="(-mz_tolerance)"/> + <param name="param_rt_tolerance" type="float" min="0.0" optional="True" value="5.0" label="Max RT distance of the precursor entries of two spectra to be merged in [s]." help="(-rt_tolerance)"/> + <expand macro="advanced_options"> + <param name="param_mz_binning_width" type="float" min="0.0" optional="True" value="0.0001" label="Max m/z distance of two peaks to be merged." help="(-mz_binning_width)"/> + <param name="param_mz_binning_width_unit" type="select" optional="True" value="Da" label="Unit in which the distance between two peaks is given." help="(-mz_binning_width_unit)"> + <option value="Da">Da</option> + <option value="ppm">ppm</option> + </param> + <param name="param_sort_blocks" type="select" optional="True" value="RT_ascending" label="Sort blocks by <?> before merging them (useful for precursor order)" help="(-sort_blocks)"> + <option value="RT_ascending">RT_ascending</option> + <option value=" RT_descending"> RT_descending</option> + </param> + </expand> + </inputs> + <outputs> + <data name="param_out" label="Output mzML file with merged spectra." format="mzML"/> + </outputs> + <help>**What it does** + +Merges spectra (each MS level separately), increasing S/N ratios. + + +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_SpectraMerger.html + +@REFERENCES@ +</help> +</tool>
