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authorThomas White <taw@physics.org>2021-10-20 15:28:19 +0200
committerThomas White <taw@physics.org>2021-10-20 15:28:19 +0200
commit0211dd487cf8d4f3815273d993838cd8369a9f83 (patch)
tree1126c54b9b611d98b672438f72ba2c26d7de4287 /src/gui_export.c
parent992b30aae2cedb427637f625d0bf5aef623885c6 (diff)
Add "plain" MTZ file layout, distinct from "Bijvoet" layout
Closes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/52
Diffstat (limited to 'src/gui_export.c')
-rw-r--r--src/gui_export.c9
1 files changed, 7 insertions, 2 deletions
diff --git a/src/gui_export.c b/src/gui_export.c
index 44a6ffc1..b0aef972 100644
--- a/src/gui_export.c
+++ b/src/gui_export.c
@@ -87,7 +87,8 @@ static int export_to_xds(struct gui_merge_result *result,
static int export_to_mtz(struct gui_merge_result *result,
const char *filename, UnitCell *cell,
- double min_res, double max_res)
+ double min_res, double max_res,
+ int bij)
{
RefList *reflist;
char *sym_str;
@@ -174,7 +175,9 @@ static int export_data(struct export_window *win, char *filename)
min_res, max_res);
if ( strcmp(format, "mtz") == 0 ) {
- r = export_to_mtz(result, filename, cell, min_res, max_res);
+ r = export_to_mtz(result, filename, cell, min_res, max_res, 0);
+ } else if ( strcmp(format, "mtz-bij") == 0 ) {
+ r = export_to_mtz(result, filename, cell, min_res, max_res, 1);
} else if ( strcmp(format, "xds") == 0 ) {
r = export_to_xds(result, filename, cell, min_res, max_res);
} else {
@@ -264,6 +267,8 @@ gint export_sig(GtkWidget *widget, struct crystfelproject *proj)
if ( libcrystfel_can_write_mtz() ) {
gtk_combo_box_text_append(GTK_COMBO_BOX_TEXT(win->format), "mtz",
"MTZ");
+ gtk_combo_box_text_append(GTK_COMBO_BOX_TEXT(win->format), "mtz-bij",
+ "MTZ, Bijvoet pairs together");
}
gtk_combo_box_text_append(GTK_COMBO_BOX_TEXT(win->format), "xds",
"XDS ASCII");