From e9efe7a8a1621002175582c32b6c5ddd9de62a38 Mon Sep 17 00:00:00 2001 From: jasenfinch Date: Wed, 16 Nov 2016 18:45:08 +0000 Subject: [PATCH] proofed readme --- README.md | 18 ++++++++---------- 1 file changed, 8 insertions(+), 10 deletions(-) diff --git a/README.md b/README.md index 65e8630..0e86eb2 100644 --- a/README.md +++ b/README.md @@ -2,15 +2,13 @@ ### mzAnnotation -An R package for putative accurate m/z annotation +An R package for putative annotation of accurate m/z #### Installation To install run: ```R -library(devtools) - -install_github('jasenfinch/mzAnnotation') +devtools::install_github('jasenfinch/mzAnnotation') ``` #### Tools @@ -19,14 +17,14 @@ Available tools include: * Adduct, isotope and biotransfromation relationship prediction ```r -res <- relationshipPredictor(c(132.03023,133.01425,133.03359,168.00691),'n') +res <- relationshipPredictor(mz = c(132.03023,133.01425,133.03359,168.00691),mode = 'n') ``` -* Molecular formular generator +* Molecular formula generator ```r -res <- generateMF(341.10894,ppm = 5,charge = -1, +res <- generateMF(mz = 341.10894,ppm = 5,charge = -1, applygr = TRUE, - composition=c(C = 12,iC = 0,H = 22,iH = 0, + composition = c(C = 12,iC = 0,H = 22,iH = 0, N = 0,iN = 0,O = 11,iO = 0,F = 0 ,Na = 0, Si = 0,P = 0,S = 0,Cl = 0,iCl = 0, Br = 0,iBr = 0,K = 0,iK = 0)) @@ -34,9 +32,9 @@ res <- generateMF(341.10894,ppm = 5,charge = -1, * Isotope distribution calculator ```r -res <- isoDistr('C4H5O5',chrg=-1) +res <- isoDistr(mf = 'C4H5O5',chrg=-1) ``` * Putative ionisation product searches ```r -res <- PIPsearch(133.01378,'n',5) +res <- PIPsearch(mz = 133.01378,mode = 'n',ppm = 5) ``` \ No newline at end of file