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1616
1717"""\
18- class SFAverage -- calculate average scattering factors and other statistics.
19-
20- This class calculates compositional average of scattering factors and squared
21- factors from a structure object or from atom concentrations.
18+ Compositional averaging of atom scattering factors.
2219
2320
2421Examples
@@ -52,19 +49,23 @@ class SFAverage(object):
5249
5350 Attributes
5451 ----------
55- f1sum : float or NumPy array
56- sum of scattering factors from all atoms.
57- f2sum : float or NumPy array
58- sum of squared scattering factors from all atoms.
59- count : float
60- total number of atoms. Can be non-integer in case of
61- fractional occupancies
62- f1avg : float or NumPy array
63- compositional average of scattering factors.
64- f2avg : float or NumPy array
65- compositional average of squared scattering factors.
66- composition : dict
67- dictionary of atom symbols and their total abundancies.
52+ f1sum :
53+ Sum of scattering factors from all atoms.
54+ Float or NumPy array.
55+ f2sum :
56+ Sum of squared scattering factors from all atoms.
57+ Float or NumPy array.
58+ count :
59+ Total number of atoms. Can be non-integer in case of
60+ fractional occupancies.
61+ f1avg :
62+ Compositional average of scattering factors.
63+ Float or NumPy array.
64+ f2avg :
65+ Compositional average of squared scattering factors.
66+ Float or NumPy array.
67+ composition :
68+ Dictionary of atom symbols and their total abundancies.
6869 """
6970
7071 f1sum = 0
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