Hi, I was confused with the input .hkl file for SHELXD. I was using ccp4 to prepare these files, and I am not sure whether I was doing it correctly.
1st I did scale2mtz to generate .mtz file 2nd I used mtz2various to convert .mtz to .hkl format. I also found a program prephadata which can convert .mtz to .hkl, however, the hkl file generated from these 2 programs are different from each other. I don't know which one to use. I was wondering whether anyone of you have tried to do the conversion, and is there any special option box from the ccp4 that I need to click when I used the scale2mtz and mtz2various? Thanks for your help! Lu
