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+++ stats.fh +++ c Statistics from output pass c c sum_x_y_z sums of item defined by _y_, for selection _x_, c by ranges _z c _x_ _a_ all including singletons c _o_ statistics relative to overall mean c _m_ relative to I+ or I- c _b_ mixed sets (fulls & partials) c _f_ fully recorded reflections only c c _y_ _k_ scale factor, 1/ghl c _t_ tails correction, 1/Dhl c _i_ intensity I c _del_ abs(deviation), |I/ghl - | c _wdl_ sqrt(n/n-1) weighted del for Rmeas c _ndl_ sqrt(1/n-1) weighted del for Rpim c _sig_ (deviation)**2, for Sigma c _wsig_ multiplicity-weighted (deviation)**2 c _sd_ sd(I) c _bias_ bias, - I/ghl c _frd_ DelI/sigma= Chi c _frdsq_ Chi**2 c _rej number of rejections c c _z _b by rotation/batch within run c _t by rotation/batch over all runs c _i by intensity c _s by resolution c _r by run c _f by full/partial c _c by partial fractioncalc c _xy by detector position (Xdet, Ydet), all runs c c n_x_y_z corresponding numbers of reflections c c i1ovlp pointer to the 1st entry for each run. c nrrang(irun) number of rotation (batch) bins in each run c nmtrng number of rotation (batch) bins in all runs c c lanlbr(irun) .true. for batch analysis for this run c c Histograms by partiality c nhstbin number of bins (.le. maxhbn) c hstbin(nhstbin) upper limits of bins (1st one starts at 0.0) c nunmfr numbers of unmatched partials c common /stats/ $ sn_m_meas_s(maxres), sum_a_i_rf(maxinb, maxrun,2), $ sum_a_k_ts(maxrtr,maxres), sum_a_t_rs(maxrun,maxres), $ sum_o_i_t(maxrtr), sum_o_i_s(maxres), sum_o_i_i(maxinb), $ sum_o_del_t(maxrtr), sum_o_del_s(maxres), sum_o_del_i(maxinb), $ sum_o_sig_t(maxrtr), sum_o_sig_s(maxres), sum_o_sig_i(maxinb), $ sum_o_sd_t(maxrtr), sum_o_sd_s(maxres), sum_o_sd_i(maxinb), $ sum_m_i_t(maxrtr), sum_m_i_s(maxres), sum_m_i_i(maxinb), $ sum_m_del_t(maxrtr), sum_m_del_s(maxres), sum_m_del_i(maxinb), $ sum_m_sig_t(maxrtr), sum_m_sig_s(maxres), sum_m_sig_i(maxinb), $ sum_m_sd_t(maxrtr), sum_m_sd_s(maxres), sum_m_sd_i(maxinb), $ sum_m_del_rs(maxrun,maxres), sum_m_i_rs(maxrun,maxres), $ sum_b_bias_rs(maxrun,maxres), sum_b_i_rs(maxrun,maxres), $ sum_b_bias_ri(maxrun,maxinb), sum_b_i_ri(maxrun,maxinb), $ sum_b_bias_c(maxfrc,2), sum_b_i_c(maxfrc,2), $ sum_f_i_s(maxres), sum_f_i_i(maxinb), $ sum_f_del_s(maxres), sum_f_del_i(maxinb), $ sum_anom_dif_s(maxres), sum_anom_sum_s(maxres), $ sum_anom_dif_i(maxinb), sum_anom_sum_i(maxinb), $ sum_m_isq_irf(maxinb,maxrun,2), sum_m_frd_irf(maxinb,maxrun,2), $ sum_m_frdsq_irf(maxinb,maxrun,2), $ sum_iovrsd_s(maxres), $ exm_t_r(2,maxrun), $ avg_scl_o_t(maxrtr), avg_scl_o, $ aihmax, aihmin, $ sum_m_frd_xy(maxxyn,maxxyn), sum_m_frdsq_xy(maxxyn,maxxyn), $ sum_m_wdl_s(maxres), sum_m_wsg_s(maxres), sum_m_im_s(maxres), $ sum_o_wdl_s(maxres), sum_o_wsg_s(maxres), sum_o_im_s(maxres), $ sum_m_ndl_s(maxres), sum_o_ndl_s(maxres), $ hprtbn(maxhbn), $ smax_a_i_rf(maxinb, maxrun,2), smin_a_i_rf(maxinb, maxrun,2), c $ n_a_k_ts(maxrtr,maxres), n_a_t_rs(maxrun,maxres), $ n_o_i_t(maxrtr), n_o_i_s(maxres), n_o_i_i(maxinb), $ n_o_del_t(maxrtr), n_o_del_s(maxres), n_o_del_i(maxinb), $ n_o_sig_t(maxrtr), n_o_sig_s(maxres), n_o_sig_i(maxinb), $ n_o_sd_t(maxrtr), n_o_sd_s(maxres), n_o_sd_i(maxinb), $ n_m_full_t(maxrtr), n_m_part_t(maxrtr), $ n_m_i_t(maxrtr), n_m_i_s(maxres), n_m_i_i(maxinb), $ n_m_del_t(maxrtr), n_m_del_s(maxres), n_m_del_i(maxinb), $ n_m_sig_t(maxrtr), n_m_sig_s(maxres), n_m_sig_i(maxinb), $ n_m_sd_t(maxrtr), n_m_sd_s(maxres), n_m_sd_i(maxinb), $ n_m_del_rs(maxrun,maxres), $ n_b_bias_rs(maxrun,maxres), $ n_b_bias_ri(maxrun,maxinb), n_b_bias_c(maxfrc,2), $ ntotrjs(maxbat,maxrun), $ nrejs(maxbat,maxrun), nrejm(maxbat,maxrun), $ n_anom_s(maxres), n_anom_i(maxinb), $ n_m_sd_irf(maxinb,maxrun,2), n_m_sdhist(21,2), $ n_uniq_s(maxres), n_uniq_i(maxinb), $ n_cent_s(maxres), n_cent_i(maxinb), $ n_o_t(maxrtr), $ n_o_meas_s(maxres), n_o_uniq_s(maxres), n_o_cent_s(maxres), $ n_m_uniq_s(maxres), $ n_o_totl_s(maxres), $ n_iovrsd_s(maxres), $ n_m_frd_xy(maxxyn,maxxyn), n_m_rej_xy(maxxyn,maxxyn), $ n_a_cent_s(maxres), n_a_acen_s(maxres), n_a_anom_s(maxres), $ n_a_i_rf(maxinb, maxrun,2), c $ i1ovlp(maxrun), nrrang(maxrun), nmtrng, $ nhstbin, nunmfr(3,maxhbn), nhsprt(maxrfl) c double precision sn_m_meas_s, sum_a_i_rf real $ sum_a_k_ts, sum_a_t_rs, $ sum_o_i_t, sum_o_i_s, sum_o_i_i, $ sum_o_del_t, sum_o_del_s, sum_o_del_i, $ sum_o_sig_t, sum_o_sig_s, sum_o_sig_i, $ sum_o_sd_t, sum_o_sd_s, sum_o_sd_i, $ sum_m_i_t, sum_m_i_s, sum_m_i_i, $ sum_m_del_t, sum_m_del_s, sum_m_del_i, $ sum_m_sig_t, sum_m_sig_s, sum_m_sig_i, $ sum_m_sd_t, sum_m_sd_s, sum_m_sd_i, $ sum_m_del_rs, sum_m_i_rs, $ sum_b_bias_rs, sum_b_i_rs, $ sum_b_bias_ri, sum_b_i_ri, $ sum_b_bias_c, sum_b_i_c, exm_t_r, $ sum_f_i_s, sum_f_i_i, $ sum_f_del_s, sum_f_del_i, $ sum_m_isq_irf, sum_m_frd_irf, $ sum_m_frdsq_irf, $ sum_anom_dif_s, sum_anom_sum_s, $ sum_anom_dif_i, sum_anom_sum_i, $ avg_scl_o_t, avg_scl_o, $ sum_iovrsd_s, $ aihmax, aihmin, $ sum_m_frd_xy, sum_m_frdsq_xy, $ sum_m_wdl_s, sum_m_wsg_s, sum_m_im_s, $ sum_o_wdl_s, sum_o_wsg_s, sum_o_im_s, $ sum_m_ndl_s, sum_o_ndl_s, $ hprtbn, smax_a_i_rf, smin_a_i_rf c integer $ n_a_k_ts, n_a_t_rs, $ n_o_i_t, n_o_i_s, n_o_i_i, $ n_o_del_t, n_o_del_s, n_o_del_i, $ n_o_sig_t, n_o_sig_s, n_o_sig_i, $ n_o_sd_t, n_o_sd_s, n_o_sd_i, $ n_m_full_t, n_m_part_t, $ n_m_i_t, n_m_i_s, n_m_i_i, $ n_m_del_t, n_m_del_s, n_m_del_i, $ n_m_sig_t, n_m_sig_s, n_m_sig_i, $ n_m_sd_t, n_m_sd_s, n_m_sd_i, $ n_m_del_rs, $ n_b_bias_rs, $ n_b_bias_ri, n_b_bias_c, ntotrjs, nrejs, nrejm, $ n_anom_s, n_anom_i, $ n_m_sd_irf, n_m_sdhist, $ n_uniq_s, n_uniq_i, $ n_cent_s, n_cent_i, $ n_o_t, $ n_o_meas_s, n_o_uniq_s, n_o_cent_s, $ n_m_meas_s, n_m_uniq_s, $ n_o_totl_s, $ n_iovrsd_s, $ n_m_frd_xy, n_m_rej_xy, $ n_a_cent_s, n_a_acen_s, n_a_anom_s, n_a_i_rf, $ nhstbin, nunmfr, nhsprt c integer i1ovlp, nrrang, nmtrng c save /stats/ c c--- stats.fh ---