Correctly map chemical formula

FAIRmat-NFDI · Jan 19, 2024 · 3b04d23 · 3b04d23
1 parent 3afb459
commit 3b04d23
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/pynxtools/dataconverter/readers/mpes/reader.py b/pynxtools/dataconverter/readers/mpes/reader.py
@@ -175,6 +175,7 @@ def iterate_dictionary(dic, key_string):
 }
 
 REPLACE_NESTED = {
+    "SAMPLE[sample]/chemical_formula": "SAMPLE[sample]/SUBSTANCE[substance]/molecular_formula_hill",
     "source_TYPE[source]/Probe": "source_TYPE[source_probe]",
     "source_TYPE[source]/Pump": "source_TYPE[source_pump]",
     "beam_TYPE[beam]/Probe": "beam_TYPE[beam_probe]",