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A reflection is comprised of the miller indices, the experimental structure factors and associated σ value, the experimental intensity and associated σ values, and predicted structure factors and intensities.
Read in a complex number which will be added to the stored calculated structure factor
Note that the calculated structure factor is a complex entity
The predicted structure factor is a real entity, representing the magnitude of the strcuture factor, include experimental corrections
Refer to f_calc=
Read in a number which will be added to the stored experimental structure factor
Read in a number which will be added to the stored experimental structure factor
The predicted structure factor is a real entity, representing the magnitude of the structure factor, include experimental corrections
Refer to f_pred=
Read in a number which will be added to the stored σ value for the experimental structure factor
Read in a number which will be added to the stored experimental intensity
Read in a number which will be added to the stored predicted intensity
Read in a number which will be added to the stored σ value for the experimental intensity
Read in a complex number representing the calculated structure factor
This is not usually inputted, but will be calculated by a calling module
Read in a number which is the "measured" experimental structure factor
Read in a number which is the predicted experimental structure factor
This is not usually inputted, but will be calculated by a calling module
Read in a number which is the "measured" experimental σ value for the structure factor
Read in the h Miller index
Read in a triple of indices representing the miller indices h, k, l
Read in a number which is the "measured" experimental intensity
Read in a number which is the predicted intensity
Read in a number which is the "measured" σ value for the experimental intensity
Read in the k Miller index
Read in the l Miller index