importing data


JSV can import two types of data. These are structure data and powder diffractogram files. Please be aware that I do not guarantee the correct conversion of structure files in every case. JSV's import routines are based on some example files that were available to me. The different softwares from which data can be imported might have used conventions for space group settings which are different from the ones in JSV. In case of doubt you can always see the space group file used by JSV ( lib/jsv.sgr ).

The diffractogram data can be viewed with the new diffractogram viewer moduls. These moduls only allow viewing. I intentionally do not support printing in this release of JSV. A printing feature for powder diffractograms will be implemented in a future version of JSV.

1. Structure data

MICRO-POWD - *.pwd files
Materials Data, Inc.
The program MICRO-POWD was written by D.K.Smith & K.L.Smith and was used extensively in the past decades. It was continously developed since the 60ties. MICRO-POWDS input files *.pwd may be imported in JSV.

POWDER-CELL - *.cel files
W.Krause & G.Nolze, BAM
JSV's DOS predecessor XRSV was originally inspired by the then DOS version of Powder-Cell 1.8. Also the radii file and the space group file of JSV are partly based on Powder-Cell's files. I therefore include the import of *.cel files.

FAT-RIETAN - *.cif files
F.Izumi, Nirim
In a future release FAT-RIETAN will allow CIF file output. These files can be directly read in by JSV for viewing the solved structure. If more than one phase is present you will be prompted for selecting the phase to be displayed. Note that JSV uses here the symmetry operators given in the CIF file itself. That means JSV does not use its own space group data base. However for the space group info and X-ray diffraction calculation I have to use JSV's space group data (mainly for extracting the Laue group).

2. Powder diffraction data

MICRO-POWD - *.cmb files
Materials Data, Inc.
The program MICRO-POWD was written by D.K.Smith & K.L.Smith and was used extensively in the past decades. It was continously developed since the 60ties. MICRO-POWDS binary *.cmb files may be imported and viewed with the CMB/MDI-viewer modul.

MDI's - *.mdi files
Materials Data, Inc.
Diffractogram data files by MDI in ASCII format may be imported and viewed with the CMB/MDI viewer.

FAT-RIETAN - IGOR files
F.Izumi, Nirim
JSV's difference plot viewer can read IGOR files, which are exported by FAT-RIETAN.

 

in future

In future releases of JSV I will implement other import formats, such as SHELX, ICSD, ICDD etc.