Issues · RECETOX/recetox-xMSannotator · GitHub

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Compound databases and HMDB ID

#114

· CLUES-Emory opened

on Jul 2, 2025

Add `hmdbAllinf.rda` and `hmdbCompMZ.rda` as parquet files to the repo

#113

· hechth opened

on Nov 18, 2024

Supported r-arrow versions

#112

· dpryan79 opened

on Jul 19, 2023

Improve isotopic pattern matching based on resolution

#96

· hechth opened

on Jun 29, 2022

Peak correlation matrix: Likely to go out of bounds for large peak tables

#95

· hechth opened

on Feb 16, 2022

Error in confidence level estimation

#93

· hechth opened

on Nov 15, 2021

Improve checks for reading compound table

#92

· hechth opened

on Nov 10, 2021

Error during theoretical isotopic pattern computation of ions

#91

· hechth opened

on Nov 9, 2021

Investigate effects of `filter.by` parameter

#90

· hechth opened

on Nov 9, 2021

main: Implement tests for advanced annotation

#86

· hechth opened

on Oct 30, 2021

main: Change advanced annotation to only include actually implemented steps (ending with isotope computation)

#85

· hechth opened

on Oct 30, 2021

main: Implement advanced testing for isotope computation

#84

· hechth opened

on Oct 30, 2021