Given a list of DTXSIDs and a list of mass spectra, return the highest similarity score for each combination of

Usage

chemi_amos_max_similarity(
  da_window = NULL,
  dtxsids = NULL,
  ms_level = NULL,
  ppm_window = NULL,
  spectra = NULL
)

da_window: Mass window in units of daltons. If not null, this will be used for similarity calculations, regardless of whether ppm_window is supplied.
dtxsids: List of DTXSIDs to search for.
ms_level: Level of mass spectrometry; if supplied, then only spectra at the specified level will be returned. Valid values are from 1 to 5.
ppm_window: Mass window in units of parts per million. Will only be used if da_window is null or not passed and ppm_window is not null.
spectra: A list of spectra, where each spectrum is an array of m/z-intensity pairs formatted as two-element arrays.

Returns a tibble with results

This wrapper was generated from the public API schema.

if (FALSE) { # \dontrun{
chemi_amos_max_similarity(da_window = "DTXSID1024122")
} # }