Efficiently calculates similarity scores between query and target spectra
using either entropy or GNPS methods
Usage
calculate_similarity(
method,
query_spectrum,
target_spectrum,
query_precursor,
target_precursor,
dalton,
ppm
)
Arguments
- method
Method ("entropy" or "gnps")
- query_spectrum
Query spectrum matrix
- target_spectrum
Target spectrum matrix
- query_precursor
Query precursor
- target_precursor
Target precursor
- dalton
Dalton tolerance
- ppm
PPM tolerance
Value
Similarity score or NA_real_ if calculation fails
