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planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 42331bc61ea07d75f88007e5a2c65eaf9e811f06
author | rjmw |
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date | Wed, 30 May 2018 09:19:03 -0400 |
parents | 62bcdba9ddcc |
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<macros> <xml name="requirements"> <requirements> <requirement type="package" version="1.2.0">dimspy</requirement> </requirements> </xml> <token name="@HDF5_PM_TO_TXT@"> dimspy hdf5-pm-to-txt --input '$hdf5_file_out' --output '$matrix_file_out' --delimiter $delimiter --attribute_name $hdf5_to_txt.matrix_attr --representation-samples $hdf5_to_txt.representation_samples </token> <token name="@HDF5_PM_TO_TXT_COMPREHENSIVE@"> dimspy hdf5-pm-to-txt --input '$hdf5_file_out' --output '$matrix_comprehensive_file_out' --delimiter $delimiter --comprehensive --attribute_name $hdf5_to_txt.matrix_attr --representation-samples $hdf5_to_txt.representation_samples </token> <xml name="hdf5_pm_to_txt"> <section name="hdf5_to_txt" title="Show options for addtional output (*.tsv files)" expanded="False"> <param name="standard" type="boolean" checked="false" truevalue="true" falsevalue="false" label="Standard output?" help="Set to "yes" to produce a "standard" Peak Matrix (i.e. m/z and intensity)."/> <param name="comprehensive" type="boolean" checked="false" truevalue="true" falsevalue="false" label="Comprehensive output?" help="Set to "yes" to produce a Peak Matrix with additional information (e.g. m/z and intensity, rsd, missing values)."/> <param name="representation_samples" type="select" label="Should the rows or columns represent the samples?"> <option value="rows" selected="true">Rows</option> <option value="columns">Columns</option> </param> <param name="matrix_attr" type="select" label="The Peak Matrix should contain ... values"> <option value="intensity" selected="true">Intensity</option> <option value="mz">m/z</option> <option value="snr">Signal-to-noise ratio (SNR)</option> </param> </section> </xml> <xml name="outputs_peak_intensity_matrix"> <data name="hdf5_file_out" format="h5" label="${tool.name} on ${on_string}: Peak Intensity Matrix (HDF5 file)"/> <data name="matrix_file_out" format="tsv" label="${tool.name} on ${on_string}: Peak Intensity Matrix"> <filter>hdf5_to_txt["standard"] is True</filter> </data> <data name="matrix_comprehensive_file_out" format="tsv" label="${tool.name} on ${on_string}: Peak Intensity Matrix (comprehensive)" > <filter>hdf5_to_txt["comprehensive"] is True</filter> </data> </xml> <xml name="citations"> <citations> <citation type="doi">10.1038/nprot.2016.156</citation> <citation type="doi">10.1038/sdata.2014.12</citation> <citation type="doi">10.1021/ac062446p</citation> <citation type="doi">10.1021/ac2001803</citation> <yield /> </citations> </xml> <token name="@example_filelist@"> <![CDATA[ +-----------------+-----------+-------+------------+----------------+ | filename | replicate | batch | classLabel | injectionOrder | +-----------------+-----------+-------+------------+----------------+ | sample_rep1.raw | 1 | 1 | sample | 1 | +-----------------+-----------+-------+------------+----------------+ | sample_rep2.raw | 2 | 1 | sample | 2 | +-----------------+-----------+-------+------------+----------------+ | sample_rep3.raw | 3 | 1 | sample | 3 | +-----------------+-----------+-------+------------+----------------+ | sample_rep4.raw | 4 | 1 | sample | 4 | +-----------------+-----------+-------+------------+----------------+ | blank_rep1.raw | 1 | 1 | blank | 5 | +-----------------+-----------+-------+------------+----------------+ | blank_rep2.raw | 2 | 1 | blank | 6 | +-----------------+-----------+-------+------------+----------------+ | blank_rep3.raw | 3 | 1 | blank | 7 | +-----------------+-----------+-------+------------+----------------+ | blank_rep4.raw | 4 | 1 | blank | 8 | +-----------------+-----------+-------+------------+----------------+ | ... | ... | ... | ... | ... | +-----------------+-----------+-------+------------+----------------+ ]]> </token> <token name="@help_options_addtional_output@"> | | **Show options for additonal output(s)** (OPTIONAL) | **\A. Standard output** (default = "No") Boolean toggle where selection of: - "Yes" will generate a .txt formatted Peak Matrix (i.e. m/z and intensity). - "No" will prevent the creation of a .txt formatted Peak Matrix. **\B. Comprehensive output** (default = "No") Boolean toggle where selection of: - "Yes" generates a Peak Matrix containing the m/z, intensity, missing values and other metrics associated with the aligned peaks. - "No" will prevent the creation of a .txt formatted comprehensive Peak Matrix.. **\C. Should rows or columns represent the samples?** (default = "rows") Binary toggle (default = "rows") where selection of: - "rows" puts sample information in to the rows and m/z values (for aligned mass spectral peaks) in to columns of any output Peak Matrix. - "columns" puts sample information in the columns and m/z values (for aligned mass spectral peaks) in to the rows of any output Peak Matrix. **\D. The Peak Matrix should contain ... values** Use this option to define which metric is inserted in to the cells of the output Peak Matrix. - "Intensity" writes the absolute peak intensity to the Peak Matrix. - "m/z" writes the m/z value to the Peak Matrix. - "Signal-to-noise ratio (SNR)" writes the signal-to-noise ratio to the Peak Matrix. Output file(s) -------------- | A HDF5 file containing a Peak Matrix | | **OPTIONAL** | A (standard and/or comprehenstive) Peak Matrix comprising samples on one axis and m/z values on the perpendicular axis | - Tab-delimited text file containing a numeric data matrix, with . as decimal, and NA for missing values. - File only created if user toggles "Standard output" and/or "Comprehensive output" to "Yes" - By default, samples are in rows and peaks are in columns. Altering the "Should rows or columns represent samples" toggle will transpose this matrix. </token> <token name="@github_developers_contributors@"> Github respository (source code) -------------------------------- https://github.com/computational-metabolomics/dimspy-galaxy/ Developers and contributors --------------------------- - **Ralf Weber (r.j.weber@bham.ac.uk) - University of Birmingham (UK)** - **Martin R. Jones (m.r.jones.1@bham.ac.uk) - University of Birmingham (UK)** - **Thomas Lawson (tnl495@bham.ac.uk) - University of Birmingham (UK)** | </token> </macros>