Re: [R] OrgMassSpecR peak area issue

2013-03-18 Thread Claudia Beleites
Hi Bryan, Division by 2 is correct, comes from trapezoid calculation. The modulo line is a funny way of producing c (2 : n, 1) Best, Claudia Am Mon, 18 Mar 2013 15:00:06 -0400 schrieb Bryan Hanson : > If you type DrawChromatogram you can see the method used to calculate > the peak area. Loo

Re: [R] OrgMassSpecR peak area issue

2013-03-18 Thread Claudia Beleites
Hi Chris, > I am having an issue with the OrgMassSpecR package. I run my HPLC > using a DAD detector. You are on a statistics IDE related mailing list. Have mercy with people from other fields and tell them that you are using a diode array to measure UV/VIS absorption. (And possibly let them kno

Re: [R] OrgMassSpecR peak area issue

2013-03-18 Thread Bryan Hanson
If you type DrawChromatogram you can see the method used to calculate the peak area. Looks to me like you could easily hack it if you wanted. The relevant part about peak areas is this: for (j in 1:n) { k <- (j%%n) + 1 x[j] <- peakTime[j] * peakIntensity[k] - pe

[R] OrgMassSpecR peak area issue

2013-03-18 Thread Christopher Beaver
Hello! I am having an issue with the OrgMassSpecR package. I run my HPLC using a DAD detector. My raw data is exported form chemstation as a csv file. I then upload the csv into Rstudio no problem. Using the DrawChromatogram function, I get a nice chromatogram, and my retention time, peak area