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CrystalDiffract Documents

CrystalDiffract reads from binary files generated by the CrystalMaker program.
You can export data in various text file formats.


Creating a Crystal

You can use the CrystalMaker program to build a crystal, using basic crystallographic data. Once you've constructed a crystal, save it as a CrystalMaker binary file - and this can be read by CrystalDiffract.

Opening a Crystal

You can open a CrystalMaker binary file in one of two ways:-

Saving your Results

You can choose to save your diffraction data in one of two formats:-

  1. as a text listing. Select the File > Export Listing command. You will be prompted for a filename, and then a data file will be generated, comtaining: Miller indices, d-spacings, two-theta values, multiplicities, and intensities of all the generated reflections.
  2. as a data profile. Select the File > Export Profile command. You will be prompted for a filename, and then a data file will be generated containing x- and y-coordinates corresponding to the current portion of the calculated diffraction pattern. You can import these (x,y)-data into another data plotting program such as WaveMetrics' "Igor Pro".


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