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authorThomas White <taw@physics.org>2018-02-15 17:04:31 +0100
committerThomas White <taw@physics.org>2018-02-27 17:12:42 +0100
commitc240adce86d36553d445422b4af3a76183925cee (patch)
tree73c6e22b1a49fa53bff2aefd699a6a62a87e5c41
parent1ebf2772e92a4f9344f9dca456abf8c30be731d2 (diff)
Add Ipart values to pgraph
-rw-r--r--src/partialator.c6
1 files changed, 3 insertions, 3 deletions
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<n_crystals; i++ ) {