Autophaser is a software package intended to automate the production of absorption mode FT-ICR MS spectra.

Currently the package is capable or reading both Bruker .d data-files and AMOLF .awm spectra.

The system can output Bruker XMass style data-files which can be re-opened in DataAnalysis for normal processing. (Certainly in DA V4.0 - there seems to be a potential issue with V4.1)

Autophaser is designed to run on a 64bit computer. The development machine is a Dell Optiplex 390, Core i5 processor, 8Gb memory, running Windows 7.

Demonstration

Installation

• To install your own copy of Autophaser, complete this form and the system will email you the download link to the installation file.
• You must have the Labview 2012 64 bit Run Time Environment installed on your computer (similar to having Java installed to run Java appelets). The Labview 2012 64 bit Run Time Environment can be downloaded, for free, from the NI website.

Guide

A guide to the use of Autophaser can be found here.

An example data file can be uploaded from here. This file contains a Bruker .d format file of the FT-ICR MS spectrum of a sample of Guinness and a set of example phasing parameters (the *.ppf file) which can be used for phase correcting the data file.

Background

Autophaser is based, in part, on methods described in Autophaser: An Algorithm for Automated Generation of Absorption Mode Spectra for FT-ICR MS.

The Genetic algorithm was developed in collaboration with Dr Mark Neal (University of Aberystwyth, UK). A further publication describing the implementation of the Genetic Algorthim has been submitted for publication. Details will follow.