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berlinguyinca / spectra-hash

The splash, this is the reference documentation
http://splash.fiehnlab.ucdavis.edu
BSD 3-Clause "New" or "Revised" License
23 stars 11 forks source link

First R package #11

Closed egonw closed 9 years ago

egonw commented 9 years ago

Example code (by Steffen):

caffeine <- cbind(
  mz=c(138.0641, 195.0815),
  intensity=c(71.59, 261.7)
)
splash <- getSplash(caffeine)
egonw commented 9 years ago

Try with:

> library(devtools)
> install_github("egonw/spectra-hash@R-package", subdir="R")
berlinguyinca commented 9 years ago

Looks great, I merged in a little bit.

G. On Oct 23, 2015 4:48 AM, "Egon Willighagen" notifications@github.com wrote:

Try with:

library(devtools) install_github("egonw/spectra-hash@R-package", subdir="R")

— Reply to this email directly or view it on GitHub https://github.com/berlinguyinca/spectra-hash/pull/11#issuecomment-150551258 .

berlinguyinca commented 9 years ago

also how would you propose to process a real spectra, like from a File or String? Since they are mostly paired as mass:intensity, it might be awkward to convert them to vectors first

egonw commented 9 years ago

@berlinguyinca, would the mass:intensity's be space or comma separated?

ssmehta commented 9 years ago

@egonw We have been using space as a delimiter between ion:intensity pairs.