pspecterlib 1.1.0

What's Changed

• Added function for generating sequences for multiple modifications at once
• Added AlternativeGlossary function for using user uploaded PTM Glossaries instead of our standard
• Sequence plots now include PTM information
• All functions now handle ProForma string format
• scan_metadata() tables now include modifications in the string format

pspecterlib 1.0.1

What's Changed

• More flexibility in terms of peak matching (either "closest peak" for bottom-up or "highest abundance" for top-down data without deconvolution)
• Expanded ProForma annotations ("TEST[Acetyl]" is automatically converted into a molecular formula. Mass shifts are also handled)
• Improved molecular formula detection (single chemical elements are now interpreted correctly, i.e. "H" means "H1")

pspecterlib 0.1.0

What's Changed

• Tests functions were added with 100% package coverage
• A make_peak_data function was added
• Minor fixes to improve input checks of all functions