diff --git a/specification/grammars/annotation.lark b/specification/grammars/annotation.lark index b67e520..baee0fa 100644 --- a/specification/grammars/annotation.lark +++ b/specification/grammars/annotation.lark @@ -78,10 +78,10 @@ series_named_compound : "_" "{" CHARACTER+ "}" series_smiles : "s" "{" SMILES+ "}" -series_unknown : "?" NUMBER* +series_unknown : "?" ORDINAL? ion_series : series_peptide | series_immonium | series_internal | series_reporter | series_formula | series_named_compound | series_smiles | series_unknown analyte_reference_ion_series : (analyte_reference_ ion_series) | ion_series -annotation : is_auxiliary? analyte_reference_? ion_series neutral_loss* isotope? adducts? charge? annotation_qualifiers? \ No newline at end of file +annotation : is_auxiliary? analyte_reference_? ion_series neutral_loss* isotope? adducts? charge? annotation_qualifiers? diff --git a/specification/reference_data/reference_molecules.md b/specification/reference_data/reference_molecules.md index 3d3b09d..deb9d3e 100644 --- a/specification/reference_data/reference_molecules.md +++ b/specification/reference_data/reference_molecules.md @@ -1,4 +1,4 @@ -| | label_type | molecule_type | chemical_formula | ion_mz | neutral_mass | +| name | label_type | molecule_type | chemical_formula | ion_mz | neutral_mass | |:------------|:-------------|:-----------------|:----------------------|---------:|---------------:| | TMT126 | TMT | reporter | C8N1H15 | 126.128 | | | TMT127N | TMT | reporter | C8[15N1]H15 | 127.125 | | @@ -43,4 +43,4 @@ | TMT130N-ETD | TMT | reporter | C4[13C3][15N1]H15 | 117.131 | | | TMT130C-ETD | TMT | reporter | C3[13C4]N1H15 | 118.141 | | | TMT131N-ETD | TMT | reporter | C3[13C4][15N1]H15 | 119.138 | | -| TMT131C-ETD | TMT | reporter | C2[13C5]N1H15 | 118.141 | | \ No newline at end of file +| TMT131C-ETD | TMT | reporter | C2[13C5]N1H15 | 118.141 | |