Package 'splashR'

Title: splashR - package to create hashes for spectra
Description: This package allows the calculation of spectral hashes.
Authors: Steffen Neumann <[email protected]>
Maintainer: Egon Willighagen <[email protected]>
License: BSD_3_clause + file LICENSE
Version: 0.0.4
Built: 2024-11-10 05:30:28 UTC
Source: https://github.com/berlinguyinca/spectra-hash

Help Index

Calculates the SPLASH of a spectrum

Description

Starting from an input matrix with peaks, it calculates the SPLASH of the spectrum.

Usage

getSplash(peaks)

Arguments

peaks

a matrix of two columns, "mz" and "intensity".

Value

the SPLASH of the spectrum.

Author(s)

Steffen Neumann

Examples

caffeine <- cbind(
  mz=c(138.0641, 195.0815),
  intensity=c(71.59, 261.7)
)
splash <- getSplash(caffeine)