diff README.md @ 5:fb9c0409d85c draft

planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 608d9e59a0d2dcf85a037968ddb2c61137fb9bce
author prog
date Wed, 19 Apr 2017 10:00:05 -0400
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+LC/MS matching
+==============
+
+[![Build Status](https://travis-ci.org/workflow4metabolomics/lcmsmatching.svg?branch=master)](https://travis-ci.org/workflow4metabolomics/lcmsmatching)
+
+An LC/MS matching tool for [Galaxy](https://galaxyproject.org/), part of the [Workflow4Metabolomics](http://workflow4metabolomics.org/) project, and developed during the [MetaboHUB](http://www.metabohub.fr/en) project.
+
+The two matching algorithms used in this tool have been imported from developments made at [CEA](http://www.cea.fr/english) Saclay, inside the *DSV/IBITEC-S/SPI*. They have been translated from C# to R.
+
+For more information, see the galaxy tool page, help section, available inside `galaxy/lcmsmatching.xml`.
+
+## search-mz
+
+This is the script, included in this repository, that allows run on command line an MZ matching on one of the available database types.
+
+Please run `search-mz -h` for a help page listing all options and presenting some examples.
+
+## Dependencies
+
+ * `libssl-dev`.
+ * `libcurl4-openssl-dev`.
+ * `libxml2-dev`.
+ * `R` version `3.2.2`.
+ * `R` packages:
+   - `getopt` >= `1.20.0`.
+   - `stringr` >= `1.0.0`.
+   - `plyr` >= `1.8.3`.
+   - `XML` >= `3.98`.
+   - `bitops` >= `1.0_6`.
+   - `RCurl` >= `1.95`.
+   - `jsonlite` >= `1.1`.
+
+## Updates
+
+### 3.3.1
+
+   * Correct a bug while trying to connect to Peakforest for getting the list of chromatographic columns.
+
+### 3.3.0
+
+   * The file database (in-house) field names are now presented in individual choice lists instead of a single text box where you had to insert a very long keys/values string.
+   * The tool now tries to guess the names of the file database fields, the values of the MS mode column, and the names of the input file columns.
+   * Allows to select the unit (minutes or seconds) of retention time values inside the input file, but also inside the file database (in-house).