diff options
| -rw-r--r-- | src/peaks.c | 13 |
1 files changed, 13 insertions, 0 deletions
diff --git a/src/peaks.c b/src/peaks.c index c0e9e270..2bbed2bf 100644 --- a/src/peaks.c +++ b/src/peaks.c @@ -370,6 +370,9 @@ void output_intensities(struct image *image, UnitCell *cell, double bx, by, bz; double cx, cy, cz; double a, b, c, al, be, ga; + double asx, asy, asz; + double bsx, bsy, bsz; + double csx, csy, csz; struct reflhit hits[MAX_HITS]; int n_hits = 0; int i; @@ -447,6 +450,16 @@ void output_intensities(struct image *image, UnitCell *cell, printf("Cell parameters %7.5f %7.5f %7.5f nm, %7.5f %7.5f %7.5f deg\n", a*1.0e9, b*1.0e9, c*1.0e9, rad2deg(al), rad2deg(be), rad2deg(ga)); + cell_get_reciprocal(image->indexed_cell, &asx, &asy, &asz, + &bsx, &bsy, &bsz, + &csx, &csy, &csz); + printf("astar = %+9.7f %+9.7f %+9.7f nm^-1\n", + asx/1e9, asy/1e9, asz/1e9); + printf("bstar = %+9.7f %+9.7f %+9.7f nm^-1\n", + bsx/1e9, bsy/1e9, bsz/1e9); + printf("cstar = %+9.7f %+9.7f %+9.7f nm^-1\n", + csx/1e9, csy/1e9, csz/1e9); + for ( i=0; i<n_hits; i++ ) { float x, y, intensity; |