Abteilung Umweltchemie

ENVIPY

Features

  • envipy offers a raphical user interface for interactive inspection of samples, intermediate as well as final results.
  • Some functions of envipy make use of the following software from EAWAG:

    • enviPick for peak picking.
    • enviPat for fast and high resolution isotope pattern creation.
    • nontarget for grouping peaks by isotope, adduct and homologue relations.
    • distinct functions from enviMass for screening and time series ranking.
    • enviPath for creation of suspect lists based on parent compounds.
    • enviMass for m/z and retention time alignment based on spiked in internal standards.

  • envipy implements time series detection and analysis. This includes time series clustering and event detection.
  • MS/MS peaks can be extracted within envipy and then identificed by the Metfrag web service for MS/MS based peak identification.
  • the envipy workflow manager is multi-core aware and allows headless execution on a server.
  • support for .mzML.mzXML and Thermo-Fisher .raw data files.
  • import of target lists, internal standards and suspects from .csv and .xlsx files.
  • export of intermediate and final results to .csv and .xlsx files

Power point presentation

You can download a presentation with screen shots and more details here.

System requirements

  • Windows 7 or newer, must be 64 bit.
  • 16 GB or more RAM
  • 500 GB hard drive, SSD is recommended

Installation

For the conversion of Thermo-Fisher .raw files within envipy you first have to install msconvert using https://sis.id.ethz.ch/envipy/pwiz-setup-3.0.10051-x86_64.msi This is not required if you work with .mzML or .mzXML files.

To install envipy download and run the installer from https://sis.id.ethz.ch/envipy/setup.exe.

The installer ships with isolated R and Python interpreters and thus will not interfere with the existing setup of the respective computer. Uninstalling envipy will remove those R andPython installations as well leaving no traces.

During the first start envipy will download and install extra Python packages. This it will require some time until the envipy window appears.

Documentation

The documentation is password protected, please contact us for getting access.

Copyright

envipy was developped by Uwe Schmitt <uwe.schmitt@id.ethz.ch> from Scientific IT Services of ETH Zurich on behalf and in corporation with Martin Loos, Heinz Singer and other members from UCHEM departement of EAWAG Dübendorf.

Credits

We make use of the following libraries and we thank their developers for their great work: