hotfixes based on janina's data

meteor/scripts/common.py

@@ -31,7 +31,7 @@
 INFER_COLUMN_NAME: str = "infer"
 PHASE_COLUMN_NAME: str = "PHI"
 DEFAULT_OUTPUT_MTZ: Path = Path("meteor_difference_map.mtz")
-DEFAULT_OUTPUT_METADATA_FILE: Path = Path("meteor_metadata.csv")
+DEFAULT_OUTPUT_METADATA_FILE: Path = Path("meteor_metadata.json")
 FLOAT_REGEX: re.Pattern = re.compile(r"^[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?$")
 
 
@@ -184,6 +184,8 @@ def _construct_map(
         )
 
         mtz = rs.read_mtz(str(mtz_file))
+        mtz.dropna(axis="index", how="any", inplace=True)
+
         if PHASE_COLUMN_NAME in mtz.columns:
             log.warning(
                 "phase column already in MTZ; overwriting with computed data",

meteor/settings.py

@@ -19,11 +19,14 @@
     "FP",  # CCP4 & GLPh native
     r"FPH\d",  # CCP4 derivative
     "F-obs",  # phenix
+    "F-obs-filtered",  # phenix
 ]
 OBSERVED_UNCERTAINTY_COLUMNS: list[str] = [
     "SIGF",  # generic
     "SIGFP",  # CCP4 & GLPh native
     r"SIGFPH\d",  # CCP4
+    "SIGF-obs",  # phenix
+    "SIGF-obs-filtered",  # phenix
 ]
 COMPUTED_AMPLITUDE_COLUMNS: list[str] = ["FC"]
 COMPUTED_PHASE_COLUMNS: list[str] = ["PHIC"]