Commit 0fa8aa2c authored by Thomas White's avatar Thomas White
Browse files

compare_hkl: Show resolution shell centre in Angstroms as well

parent 3921eb3e
......@@ -238,19 +238,19 @@ static void plot_shells(RefList *list1, RefList *list2, double scale,
switch ( config_shells ) {
case R_SHELL_RSPLIT :
fprintf(fh, "1/d centre Rsplit / %%\n");
fprintf(fh, "1/d centre Rsplit / %% d (A)\n");
break;
case R_SHELL_R1I :
fprintf(fh, "1/d centre R1(I) / %%\n");
fprintf(fh, "1/d centre R1(I) / %% d (A)\n");
break;
case R_SHELL_R1F :
fprintf(fh, "1/d centre R1(F) ignoring -ves / %%\n");
fprintf(fh, "1/d centre R1(F) ignoring -ves / %% d (A)\n");
break;
default :
fprintf(fh, "1/d centre 0.0\n");
fprintf(fh, "1/d centre 0.0 d (A)\n");
break;
}
......@@ -277,8 +277,8 @@ static void plot_shells(RefList *list1, RefList *list2, double scale,
}
fprintf(fh, "%10.3f %10.2f %10i\n",
cen*1.0e-9, r*100.0, cts[i]);
fprintf(fh, "%10.3f %10.2f %10i %10.2f\n",
cen*1.0e-9, r*100.0, cts[i], (1.0/cen)*1e10);
}
......
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