From c240adce86d36553d445422b4af3a76183925cee Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 15 Feb 2018 17:04:31 +0100 Subject: Add Ipart values to pgraph --- src/partialator.c | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) (limited to 'src') diff --git a/src/partialator.c b/src/partialator.c index 4c9ad1c1..5789d58b 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -650,8 +650,8 @@ static void write_to_pgraph(FILE *fh, RefList *list, RefList *full, Crystal *cr, Ipart = get_intensity(refl) * corr; pobs = Ipart / get_intensity(match); - fprintf(fh, "%5i %4i %4i %4i %e %8.3f %8.3f %s\n", - fr, h, k, l, 2*res, pcalc, pobs, ins); + fprintf(fh, "%5i %4i %4i %4i %e %e %8.3f %8.3f %s\n", + fr, h, k, l, 2*res, Ipart, pcalc, pobs, ins); } } @@ -678,7 +678,7 @@ static void write_pgraph(RefList *full, Crystal **crystals, int n_crystals, } if ( iter == 0 ) { - fprintf(fh, " Crystal h k l 1/d(m) pcalc pobs iteration\n"); + fprintf(fh, " Crystal h k l 1/d(m) Ipart pcalc pobs iteration\n"); } for ( i=0; i