From 0211dd487cf8d4f3815273d993838cd8369a9f83 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 20 Oct 2021 15:28:19 +0200 Subject: Add "plain" MTZ file layout, distinct from "Bijvoet" layout Closes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/52 --- src/gui_export.c | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) (limited to 'src/gui_export.c') 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"); -- cgit v1.2.3