v7.32.0

7.32.0 (2024-01-23)

Features

• allow to select technique in InSilicoSpectra search (964afbf)

v7.31.1

7.31.1 (2024-01-23)

Bug Fixes

• mass-fragmentation: array variables need to be plural (modes, ionizations) (672b9b0)

v7.31.0

7.31.0 (2023-12-13)

Features

• mass-fragmentation: use ionization and mode to get reactions (ca00605)

v7.30.1

7.30.1 (2023-12-12)

Bug Fixes

• octochemdb: sort in silice spectra search by similarity (328e707)

v7.30.0

7.30.0 (2023-12-12)

Features

• ms-spectrum: MSComparator returns a similarity object (acdfff5)

v7.29.0

7.29.0 (2023-12-06)

Features

• if relative mass display possible MF for selected peak (153a591)

v7.28.0

7.28.0 (2023-12-05)

Features

• mass-fragmentation: improve reactions (876932b)
• octochemdb: add searchInsilicoSpectra by masses and mf (9f5e637)

Bug Fixes

• rename url to route (d894dc5)

v7.27.0

7.27.0 (2023-12-04)

Features

• ms-spectrum: Add new method getSimilarityByMasses (9409ffb)
• octochemdb: add searchInSilicoSpectra (cef6df1)

v7.26.0

7.26.0 (2023-11-28)

Features

• background color in svg is related to peak intensity (340e520)
• mass-fragmentation: improve db fragmentation reactions (1e3eaac)

v7.25.0

7.25.0 (2023-11-21)

Features

• mass-fragmentation: fragmentation without molfile (30fc7b9)