SMARTSware for SMARTS users to facilitate data reduction and data analysis
The software package SMARTSware is made by one of the instrument scientist on the engineering neutron diffractometer SMARTS at the Lujan Center, a national user facility at Los Alamos Neutron Scattering Center (LANSCE). The purpose of the software is to facilitate the data analysis of powder diffraction data recorded at the Lujan Center, and hence the target audience is users performing experiments at the one of the powder diffractometers (SMARTS, HIPPO, HIPD and NPDF) at the Lujan Center. The beam time at the Lujan Center is allocated by peer review of internally and extenally submitted proposals, and therefore many of the users who are granted beam time are from the international science community. Generally, the users are only at the Lujan Center for a short period of time while they are performing the experiments, and often they leave with several data sets that have not been analyzed. The distribution of the SMARTSware software package will minimize their efforts when analyzing the data once they are back at their institution. Description of software: There are two main parts of the software; a part used to generate instrument parameter files from a set of calibration runs (Smartslparm, SmartsBin, SmartsFitDif and SmartsFitspec); and a part that facilitates the batch refinement of multiple diffraction patterns (SmartsRunRep, SmartsABC, SmartsSPF and SmartsExtract). The former part may only be peripheral to most users, but is a critical part of the instrument scientists' efforts in calibrating their instruments. The latter part is highly applicable to the users as they often need to analyze or re-analyze large sets of data. The programs within the SMARTSware package heavily rely on GSAS for the Rietveld and single peak refinements of diffraction data. GSAS (General Structure Analysis System) is a public available software also originating from LANL. Subroutines and libraries from the NeXus project (a world wide trust to standardize diffraction data formats) and National Center for Supercomputing Applications (NCSA) at the University of Illinois (the Hierarchical Data Format Software Library and Utilities) are used in the programs. All these subroutines and libraries are publicly available through the GNU Public License and/or Freeware. The package also contains sample input and output text files and a manual (LA-UR 04-6581). The executables and sample files will be available for down load at http://public.lanl.gov/clausen/SMARTSware.html and ftp://lansce.lanl.gov/clausen/SMARTSware/SMARTSware.zip, but the source codes will only be made available by written request to clausen@lanl.gov.
- Short Name / Acronym:
- SMARTSware; 001911IBMPC00
- Site Accession Number:
- SMARTSware (LA-CC 04-116)
- Version:
- 00
- Programming Language(s):
- Medium: X; OS: Not Specified; Compatibility: PC
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE
- Contributing Organization:
- Bjorn Clausen, Los Alamos National Laboratory, P.O. Box 1663, MS H805, Los Alamos, NM 87545
- DOE Contract Number:
- W-7405-ENG-36
- OSTI ID:
- 1230851
- Country of Origin:
- United States
Similar Records
RPF: An Extensible, Cross-Platform, Binary File Format for Radiation Physics Data
MILK : a Python scripting interface to MAUD for automation of Rietveld analysis