C C C This code is distributed under the terms and conditions of the C CCP4 licence agreement as `Part 2' (Annex 2) software. C A copy of the CCP4 licence can be obtained by writing to the C CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. C c+++ anomtc.fh +++ c kanomo controls treatment of anomalous data in output pass c = 0 no anomalous c = +1 anomalous all c = +2 anomalous match, no symmetry (ie run match only) c = +3 anomalous match, symmetry operator given c = +4 anomalous match, INVERT c = +5 anomalous match, SPINDLE (from 1st matrix in run) c lanmtcrn .true. to match within runs, .false. don't c only for kanomo .ge. 2 c anmmtc(3,3,maxrun) c symmetry matrix relating matching anomalous measurements, c for ANOMALOUS MATCH option (kanomo .ge. +3 only) c This matrix postmultiplies row vector (h k l) c kanmtc(maxrun) current state of anmmtc matrix c = -1 not set c = 0 flagged as SPINDLE, waiting to be set c = +1 set to explicit symmetry operator c = +2 set to INVERT c = +3 set to SPINDLE, matrix extracted from orientation data c anmphd maximum delta Phi for acceptable matched anomalous pairs c = 0.0 for no check c anmtmd maximum delta time for acceptable matched anomalous pairs c = 0.0 for no check c nisym number of ISYM symmetry operators (= nsymp*2) c rassym(3,3,nisym) c crystal symmetry matrices: odd numbers corrspond to I+, c even to I- (ie matrix 1 is h,k,l, matrix 2 is -h,-k,-l) c rinsym(3,3,nisym) c inverse crystal symmetry matrices c mtcsym(maxsym, maxrun) c matching symmetry numbers for Anomalous Match common /anomtc/ anmmtc(3,3,maxrun), anmphd, anmtmd, $ rassym(3,3,2*maxsym), rinsym(3,3,2*maxsym), $ kanomo, kanmtc(maxrun), mtcsym(maxsym, maxrun), nisym, lanmtcrn real anmmtc, anmphd, anmtmd, rassym, rinsym integer kanomo, kanmtc, mtcsym, nisym logical lanmtcrn save /anomtc/ c c--- anomtc.fh ---