https://doi.org/10.1051/epjconf/20158303010
mQfit, a new program for analyzing quasi-elastic neutron scattering data
1 Univ. Grenoble Alpes, IBS, 38041 Grenoble Cedex 9, France
2 Institut Laue-Langevin, 71 avenue des Martyrs, CS 20156, 38042 Grenoble Cedex 9, France
3 CNR-IOM, OGG, 71 avenue des Martyrs, CS 20156, 38042 Grenoble Cedex 9, France
a Corresponding author: martinezn@ill.fr
Published online: 23 January 2015
Analysis of Quasi-elastic Neutron Scattering (QENS) data of complex systems such as biological or soft matter samples in a comprehensive and explicit way often requires great efforts. Most popular software only allows to fit spectra originating from one single instrument and does not permit to extract parameters from a model that is fitted simultaneously to data taken at different instrumental resolutions. We present here a new program, mQfit (multiple QENS dataset fitting), that enables to fit QENS data taken at different spectrometers (with typical resolutions between 0.01 and 0.1 meV) and momentum transfer ranges. This allows drastically reducing the number of fitting parameters. The routine is implemented with a user friendly Graphical User's Interface (GUI), and freely available. As an example, we will present results obtained on E. coli bacterial pellets, and compare them to values published in the literature.
© Owned by the authors, published by EDP Sciences, 2015
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
