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.