Module spectrum_processing 

Structs

PASEFFragmentData

Metadata required for processing a single PASEF fragment

PreprocessedSpectrum

Represents a fully preprocessed spectrum ready for database search

SpectrumProcessingConfig

Configuration for spectrum preprocessing

Functions

deisotope_spectrum

Deisotope a spectrum by removing peaks that are likely isotopes of more intense peaks.

filter_top_n

Filter spectrum to keep only the top N most intense peaks.

flatten_frame_to_spectrum

Flatten a TimsFrame-like structure (multiple scans) into a single spectrum. Groups peaks by TOF index, sums intensities, and averages m/z values.

get_inverse_mobility_along_scan_marginal

Calculate the inverse mobility at the scan with highest total intensity. This implements the “marginal” mobility calculation.

normalize_intensity

Normalize intensity values to sum to a constant (e.g., 1.0 or 10000.0)

process_pasef_fragments_batch

Process a batch of PASEF fragments in parallel.

process_spectrum

Process a single spectrum: flatten, optionally deisotope, filter top N peaks.