Published 2015 | Version v1
Book

MQfit, a new program for analyzing quasi-electric neutron scattering data

  • 1. Institut Laue-Langevin, 71 avenue des Martyrs, CS 20156, 38042 Grenoble Cedex 9 (France)
  • 2. Univ. Grenoble Alpes, IBS, 38041 Grenoble Cedex 9 (France)
  • 3. CNR-IOM, OGG, 71 avenue des Martyrs, CS 20156, 38042 Grenoble Cedex 9 (France)

Description

The 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. The comparison results show that using data sets originating from different spectrometers to analyze the same sample presents great advantages, especially in such samples with complex dynamics spanning timescales of several orders of magnitude

Availability note (English)

Available from doi: http://dx.doi.org/10.1051/epjconf/20158303010
Part of:
EPJ Web of Conferences, Proceedings of the joint meeting QENS/WINS 2014

Additional details

Identifiers

Publishing Information

Publisher
EDP Sciences
Imprint Place
Les Ulis (France)
Imprint Title
EPJ Web of Conferences, Proceedings of the joint meeting QENS/WINS 2014
Imprint Pagination
v. 83 [232 p.]
Journal Page Range
p. 03010.p.1-03010.p.4

Conference

Title
11. International Conference on Quasielastic Neutron Scattering; 6. International Workshop on Inelastic Neutron Spectrometers
Acronym
QENS/WINS 2014
Dates
11-16 May 2014
Place
Autrans (France)

INIS

Country of Publication
France
Country of Input or Organization
France
INIS RN
47040836
Subject category
S46: INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
DATA ANALYSIS; ESCHERICHIA COLI; M CODES; NEUTRON SPECTROSCOPY; QUASI-ELASTIC SCATTERING
Descriptors DEC
BACTERIA; COMPUTER CODES; DATA PROCESSING; DIRECT REACTIONS; MICROORGANISMS; NUCLEAR REACTIONS; PROCESSING; QUASI-FREE REACTIONS; SCATTERING; SPECTROSCOPY

Optional Information

Notes
19 refs.