#!/bin/sh # # Patterson Example # fft hklin $CEXAM/toxd/toxd mapout $CCP4_SCR/toxd_aupatt << END patterson resolution 100 2.5 ! list 100 ! uncomment this to get input FFT terms (fftkw.abcoeffs) exclude SIG1 4 SIG2 4 DIFF 2800 ! The correct fft spacegroup will be chosen automatically ! fftspacegroup 47 ! Orignal space group + no trans + center of sym title 2.5A AU - NAT patterson - excluding 4 sig , and Diso > 180. grid 88 144 80 ! this grid is finer than the default xyzlim 0 44 0 72 0 40 labin F1=FAU20 SIG1=SIGFAU20 F2=FTOXD3 SIG2=SIGFTOXD3 END #