Intensity Data / Scaling
The intensity data are in file code.HKL.
The observations can be either the structure factor moduli F or the squared moduli F2 using the keyword IHKL. A reflection is observed if Fo > FACDF·σ(Fo) (or Fo2 > 2·FACDF· σ(Fo2). The variable DSMIN is the minimum d-spacing of the input data set.
The relation between the quasi-normalised structure factor E, the scaling factor (SK) and the overall thermal vibration coefficient (BO) is given by the next equation:
E(h) = [Fobs(h)/SK] · exp[BO ·sin2(θh /λ)] / sqrt[Σfjh 2]
keywords
All these keywords are showed in the XLENSG program in the respective dialog when the user select the button and the the program show the next dialog
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