CRAN

nontarget 1.9

Detecting Isotope, Adduct and Homologue Relations in LC-MS Data

Released Sep 27, 2016 by Martin Loos

This package is available for Renjin and there are no known compatibility issues.

Dependencies

mgcv 1.8-23 enviPat 2.2 nontargetData 1.1

Screening a HRMS data set for peaks related by (1) isotope patterns, (2) different adducts of the same molecule and/or (3) homologue series. The resulting isotopic pattern and adduct groups can then be combined to so-called components, with homologue series information attached. Also allows plotting and filtering HRMS data for mass defects, frequent m/z distances and components vs. non-components.

Installation

Maven

This package can be included as a dependency from a Java or Scala project by including the following your project's pom.xml file. Read more about embedding Renjin in JVM-based projects.

<dependencies>
  <dependency>
    <groupId>org.renjin.cran</groupId>
    <artifactId>nontarget</artifactId>
    <version>1.9-b26</version>
  </dependency>
</dependencies>
<repositories>
  <repository>
    <id>bedatadriven</id>
    <name>bedatadriven public repo</name>
    <url>https://nexus.bedatadriven.com/content/groups/public/</url>
  </repository>
</repositories>

View build log

Renjin CLI

If you're using Renjin from the command line, you load this library by invoking:

library('org.renjin.cran:nontarget')

Test Results

This package was last tested against Renjin 0.9.2644 on Jun 2, 2018.

Source

C++

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