From cc2717022fca0fd6b24b1dba3aaa5173672a3223 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Fri, 5 Jan 2024 16:39:43 +0100
Subject: get_hkl: Read MTZ files

There are still some rough edges, e.g. it only works with a simple
I/SIGI column (not I+/I-), and can't yet interpret the symmetry
information in the file.  However, it's still better than the old
mtz2hkl script.

Closes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/7
---
 scripts/mtz2hkl | 44 +++++++-------------------------------------
 1 file changed, 7 insertions(+), 37 deletions(-)

(limited to 'scripts')

diff --git a/scripts/mtz2hkl b/scripts/mtz2hkl
index e1c98251..5a7409c9 100755
--- a/scripts/mtz2hkl
+++ b/scripts/mtz2hkl
@@ -1,39 +1,9 @@
 #!/bin/sh
 
-mtz2various hklin $1 hklout $2.temp <<EOF
-LABIN H=H K=K L=L I=IMEAN SIGI=SIGIMEAN
-OUTPUT USER '(3I4,2F15.1)'
-EOF
-
-perl < $2.temp > $2 << WIBBLE
-use strict;
-
-my \$line;
-open(FILE, "$2.temp");
-
-printf("CrystFEL reflection list version 2.0\n");
-printf("Symmetry: 1\n");
-printf("   h    k    l          I    phase   sigma(I)   nmeas\n");
-
-while ( \$line = <FILE> ) {
-
-        if ( \$line =~ /^\s*([\d\-]+)\s+([\d\-]+)\s+([\d\-]+)\s+([\d\-\.]+)\s+([\d\-\.]+)/ ) {
-
-                my \$h = \$1;
-                my \$k = \$2;
-                my \$l = \$3;
-                my \$intensity = \$4;
-                my \$sigi = \$5;
-
-                printf("%4i %4i %4i %10.2f %s %10.2f %7i\n",
-                       \$h, \$k, \$l, \$intensity, "       -", \$sigi, 1);
-
-        } else {
-		printf(STDERR "Couldn't understand line '%s'\n", \$line);
-        }
-
-}
-close(FILE);
-printf("End of reflections\n");
-WIBBLE
-exit
+echo -------------------------------------------------------------
+echo
+echo In this CrystFEL version, MTZ import is now done via get_hkl:
+echo get_hkl -i file.mtz -o out.hkl
+echo
+echo -------------------------------------------------------------
+exit 1
-- 
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