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@sabaronett
sabaronett authored Jan 28, 2020
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Expand Up @@ -16,8 +16,8 @@ One could load the crystal from

To perform XRD calculation, one needs to provide the following info
- crystal structure
- wavelength (default is Cu-Ka: 1.54184 \AA)
- maximum 2\theta value (defult: 180 degree)
- wavelength (default is Cu-Ka: 1.54184 Å)
- maximum 2θ value (defult: 180°)

The atomic scattering factor is calculated from 9-parameter equation by Don Cromer and J. Mann.

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