Data / analysis (IR)

Data formats

We currently run two versions of OPUS at the IRM beamline; OPUS version 6.5 for data collection, and OPUS version 7.2 for data analysis. Data is routinely saved via OPUS in either of two Bruker OPUS file formats. Single spectra are saved as OPUS Spectrum files. 2D IR map files are saved as OpusMultiple files (.map). OPUS Multiple files contain all spectral and x-y spatial information for a two dimensional grid map, plus related captured video images.

Data compatibility

Opus spectrum files collected in OPUS v6.5 can be read by Bruker Opus software including OPUS v7.2 (recommended for data analysis), CAMO The Unscrambler v 9.8+ and by Thermo Grams /AI, all of which are available at the beamline for off-line data analysis.


OPUS Multiple files (.map) can be read by Bruker Opus 3D software and by CytoSpec v1.3, again which are available at the beamline for off-line data analysis.

Data conversion

Bruker spectrum files can be batch converted into the following file formats:

  • X-Y table (data point table – Excel compatible)
  • JCAMP
  • SPC format (Thermo Grams AI compatible)

Analysis software

In addition to the latest version of Bruker Opus 3D, the following data analysis packages are available for use on the off-line data analysis PCs.

  • CytoSpec v 1.3.02
  • Thermo Grams AI (single PC licence)
  • The Unscrambler v 10.3

Offsite Access to Data for download or post-processing of data

Storage Gateway
 
Original data from your beamtime may be downloaded at the beamline directly by you at the end of your beamtime, or it can be downloaded remotely when offsite via the VBL Storage Gateway by accessing your VBL login. This site allows you to download original data from all completed experiments that you are associated with at the synhcrotron as a zipped file (one zip file per EPN) to your computer. Click here for more information.
 
RAIDAR

The data analysis programs available at the beamline can be made available to users offsite via our remote access set-up called RAIDAR. Please click here for more information.

 

Resonant Mie Scattering

If you believe that your data is showing evidence of resonant Mie scattering induced baseline distortions, please click here for more information. Several useful papers regarding scattering issues in IR data are also listed here.