diff options
Diffstat (limited to 'scripts/create-mtz')
| -rwxr-xr-x | scripts/create-mtz | 3 |
1 files changed, 2 insertions, 1 deletions
diff --git a/scripts/create-mtz b/scripts/create-mtz index edd55933..8ee35eac 100755 --- a/scripts/create-mtz +++ b/scripts/create-mtz @@ -35,7 +35,7 @@ SYMM P1 SKIP 1 LABOUT H K L IMEAN SIGIMEAN CTYPE H H H J Q -FORMAT '(F3.0,1X,F3.0,1X,F3.0,1X,F10.2,10X,F10.2)' +FORMAT '(F8.0,1X,F8.0,1X,F8.0,1X,F20.2,1X,F20.2)' EOF if [ $? -ne 0 ]; then echo "Failed."; exit; fi @@ -53,6 +53,7 @@ if [ $? -ne 0 ]; then echo "Failed."; exit; fi echo "Running 'truncate'..." truncate HKLIN $TMPFILE HKLOUT $OUTFILE >> out.html << EOF TRUNCATE NO +NOHARVEST LABIN H=H K=K L=L IMEAN=IMEAN SIGIMEAN=SIGIMEAN LABOUT H=H K=K L=L IMEAN=IMEAN SIGIMEAN=SIGIMEAN F=F SIGF=SIGF CONTENTS C 16938 N 3310 O 3548 MG 96 P 3 S 89 CA 1 FE 12 H 17645 |