An R implementation of the SPLASH (SPectraL hASH), an unambiguous, database-independent spectral identifier.
Installing the R package can be done with the devtools package directly from within R:
> library(devtools) > install_github("berlinguyinca/spectra-hash", subdir="splashR")
To generate a splash you need to source the R functions, and call
on a dataframe or matrix with two numeric columns containing m/z and intensity:
## The caffeine example from the paper library(splashR) ## The caffeine example from the paper caffeine <- cbind(mz=c(138.0641, 195.0815), intensity=c(71.59, 261.7)) getSplash(caffeine)
This library was written by Stefen Neuman is licensed under the BSD 3 license.