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Software suite for analysis of activated ion mobility mass spectrometry data
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README.md

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ORIGAMI - A Software Suite for Activated Ion Mobility Mass Spectrometry Applied To Multimeric Protein Assemblies


ORIGAMI is a two component software suite for faster acquisition of actived ion mobility mass spectrometry (IM-MS) datasets and analysis of MS and IM-MS data.

The acquisition software (ORIGAMIMS) works by interfacing MassLynx and Waters Research Enabled Software (WREnS) to carry out a typically tedious task of increasing the collision or cone voltage prior to ion mobility separation. The program works by executing a set of commands that modify various DC potentials in Waters Synapt G2 (and above) family of instruments. There are four acquisition modes available (linear, exponential, Boltzmann and User-defined) which determine the activation ramp parameters.

ORIGAMIMS requirements:

  • Installed WREnS on your instrument PC (please contact Waters Corp. for access to WREnS and installation instructions)
  • Download ORIGAMIMS and associated WREnS scripts
  • Read the User Guide for more details or watch the YouTube video
  • Installation instructions can be found in the User Guide

The analysis software (ORIGAMIANALYSE) can import single or multiple IM-MS Waters files (.raw) or a list of text files (.csv, .txt) to visualise and interrogate the ion mobility data. It provides an analysis platform to extract, process, visualise and export MS and IM-MS data to convenient image or text formats. The program was designed to handle activated IM-MS datasets, hence can easily manipulate large number of files to generate CIU or SID fingerprint maps; datasets can be compared and overlayed to produce high-quality images. All of the processed data can be also exported in an interactive format, to give a webpage-like behaviour with utility tools such as zooming, panning, data hovering and much more.

Some ORIGAMIANALYSE features:

  • import single or multiple Waters raw files (requires Driftscope)
  • import single or multiple text files
  • batch data extraction from raw files
  • comparison and overlay of CIU/SID/UVPD datasets
  • export all data as static image or in an interactive webpage format
  • create and apply CCS calibration to proteins and small molecules
  • tools to analyse linear DTIMS datasets

ORIGAMIANALYSE requirements:

  • Driftscope (should be provided with your Waters instrument) - if Driftscope is not present, you will not be able to extract MS or IM-MS data
  • Read the User Guide
  • Installation instructions can be found in the User Guide

Authors and contributors:


New features and bug reports

If you encounter any errors or problems, would like to ask request new features or just have a chat about ORIGAMI or other MS and IM-MS topics, please contact Lukasz Migas (lukasz.migas@manchester.ac.uk).


Citation

If you use either of the components of ORIGAMI, please consider citing it in your work:

L. G. Migas, A. P. France, B. Bellina, P. E. Barran, "ORIGAMI: A software suite for activated ion mobility mass spectrometry (aIM-MS) applied to multimeric protein assemblies”, Int. J. Mass Spectrom., 2017

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