Sebastian Gibb sgibb

sgibb / server.R

Last active December 18, 2015 04:28

give shiny a try; to run this example: `install.packages("shiny"); library("shiny"); runGist("5725234")`

	library("shiny")

	library("MALDIquant")

	data("fiedler2009subset")

	shinyServer(function(input, output) {

	output$plotBaseline <- renderPlot({
	plot(fiedler2009subset[[1]])

sgibb / importBrukerXml.R

Created February 12, 2013 21:18

quick & dirty approach to import Bruker xml files.

	## code to import peaks from Bruker xml files

	importBrukerXml <- function(file) {
	require("MALDIquant")

	## read file
	r <- readLines(file)

	## remove useless stuff
	r <- gsub(pattern="^.<ms_peaks>\|</ms_peaks>.$", replacement="", x=r)

sgibb / fwhm.R

Created October 18, 2012 19:33

Calculate FWHM.

	fwhm <- function(spectrum, peaks) {

	## work horse
	.fwhm <- function(spectrum, i) {
	n <- length(spectrum)
	left <- ifelse(i <= 1, 1, i)
	right <- ifelse(i >= n, n, i)

	hm <- spectrum@intensity[i]/2