CONVOL: Real Space Convolution
f1.21 apply function 1.2 of Int. Tables
2.5.3D
f2.21apply function 2.2 of Int.
Tables 2.5.3D
f3.11 apply function 3.1 of Int. Tables
2.5.3D
f3.21 apply function 3.2 of Int. Tables
2.5.3D
f3.31apply function 3.3 of Int.
Tables 2.5.3D
f41 apply function 4 of Int. Tables 2.5.3D
f51apply function 5 of Int. Tables
2.5.3D
scale scale for coefficient
limhkl reflection index limits
limstl sinθ /λ limits
limd Bragg spacing limits
limf magnitude limits
1 One, and only one, of these lines must be supplied
CONVOL 1 dataset name (12 characters)
2 list n list every reflection
f1.2 1-3 the origin offsets in fractions along x, y, and z
These values must conform to restrictions imposed by the symmetry of the
given space group.
f2.2 1-3 the are
measures parallel to the cell edges in direct space which characterize the
figure of convolution
f3.1 1-3 the are
measures parallel to the cell edges in direct space which characterize the
figure of convolution
4 weighting parameter a
1/(8π)
f3.2 1-3 the are
measures parallel to the cell edges in direct space which characterize the
figure of convolution
4 weighting parameter a
1/(4π)
5 the axis to be parallel to , the cylinder as a, b or c
6 the axis to be parallel to as a, b or c
f3.3 1-3 the are
measures parallel to the cell edges in direct space which characterize the
figure of convolution
4 weighting parameter a
3/(4π)
f4 1-3 the are
measures parallel to the cell edges in direct space which characterize the
figure of convolution
4 weighting parameter a
3/(π)>
f5 1-3 the are
measures parallel to the cell edges in direct space which characterize the
figure of convolution
4 weighting parameter a
15/(8π)
scale 1 coefficient scale
limhkl 1-2 h min and max
3-4 k min and max
5-6 l min and max
limstl 1 sinθ/λ min
2 sinθ/λ max
limd 1 min Bragg spacing
2 max Bragg spacing
limf 1 min
2 max
3 k
Output only reflections where min. <= <= max. For
Bijvoet difference functions, a reflection is rejected if either
(+) or(-) lies outside the specified range.
Output only reflections where >= k.