complete alpha support in matchmaps.mr

src/matchmaps/_compute_mr_diff.py

@@ -49,6 +49,7 @@ def compute_mr_difference_map(
     eff : str = None,
     keep_temp_files: str = None,
     radius : float = 5,
+    alpha : float = 0,
     no_bss = False,
 ):
     """
@@ -98,6 +99,8 @@ def compute_mr_difference_map(
         If not None, the name of a subdirectory of the output_dir into which intermediate matchmaps files are moved upon program completion.
     radius : float, optional
         Maximum distance away from protein model to include voxels. Only applies to the "unmasked" difference map output.
+    alpha : float, optional
+        Alpha to use in error weighting of F-obs prior to Fourier Transform. Defaults to 0, e.g. no weighting.
      no_bss : bool, optional
         If True, skip bulk solvent scaling feature of phenix.refine
     """
@@ -197,10 +200,10 @@ def compute_mr_difference_map(
     # TO-DO: Figure out why phenix outputs are sometimes still split into (+) and (-) columns, even when I specify that anomalous=False
     # As a workaround, even anomalous files have a single 'F-obs-filtered' column, so I can always just use that.
     fg_off = make_floatgrid_from_mtz(
-        mtzoff, spacing, F="F-obs-filtered", Phi="PH2FOFCWT", spacegroup="P1", dmin=dmin
+        mtzoff, spacing, F="F-obs-filtered", SigF="SIGF-obs-filtered", Phi="PH2FOFCWT", spacegroup="P1", dmin=dmin, alpha=alpha,
     )
     fg_on = make_floatgrid_from_mtz(
-        mtzon, spacing, F="F-obs-filtered", Phi="PH2FOFCWT", spacegroup="P1", dmin=dmin
+        mtzon, spacing, F="F-obs-filtered", SigF="SIGF-obs-filtered", Phi="PH2FOFCWT", spacegroup="P1", dmin=dmin, alpha=alpha,
     )
 
     if rbr_gemmi is None: