From 3b04d231dec10ca30b414fb293fbdcc944146054 Mon Sep 17 00:00:00 2001 From: domna Date: Fri, 19 Jan 2024 14:13:52 +0100 Subject: [PATCH] Correctly map chemical formula --- pynxtools/dataconverter/readers/mpes/reader.py | 1 + 1 file changed, 1 insertion(+) diff --git a/pynxtools/dataconverter/readers/mpes/reader.py b/pynxtools/dataconverter/readers/mpes/reader.py index fa00cad5d..843bd15a8 100644 --- 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]",