Beware however these spherical harmonics change for different resolution and integration sphere cut off values. The program will reread this file to do a peak search. If the spacegroups have more than one symmetry operation, additional rotation solutions are generated by their combination. The asymmetric units required are calculated in the program. All input is free format.
Many data cards are optional.
The rest of the line is taken as a title. If only one is given, it is treated as the high resolution limit. The test is done after application of the temperature factor, but before squaring to intensities. This is used to restrict the number of reflections used in the calculation to less than 10000. The program dimensions can be increased but there is little point in including weak data.