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Messages - titan100

1
XCMS - Cookbook / XCMS peak integration visualization
Quote
Hi,
I have quick question on peak integration visualization using xcms. What function should I use to visualize the peak integration after peak picking, ret correction, and grouping? I am not sure if getEIC will help. I am looking for something like I have attached. I want to see how my preprocessing methods have worked. I have attached image as an example for reference.

Thank you for your time.




[attachment deleted by admin]
4
Mass spectrometers / Re: QTRAP parameters for lipidomics
Hey Jan,
I was looking for mass spectrometry parameters, not LC. I am doing direct injection. Also if I want to perform untargeted analysis (LC-MS) using qtrap 5500 will that be a good choice. What will be the drawbacks? I know it is not a good choice but one of my friends want to run untargeted analysis using the mass spectrometer (qtrap 5500). I told him that it is not a high res instrument so won't be right thing to do.

Thank you for your suggestions.

Best,
Titan
5
Mass spectrometers / QTRAP parameters for lipidomics
Hello,
I am planning to run human samples for lipidomics analysis. I am new to qtrap and using sciex qtrap 5500. Can anyone please help me telling the parameter settings used for your analysis? I thought this will help me to optimize parameters for my project.

Thank you  :) .
6
XCMS / XCMS plot error (How to fix it)
> #xset <- faahKO
> xset
An "xcmsSet" object with 12 samples

Time range: 2506.1-4147.7 seconds (41.8-69.1 minutes)
Mass range: 200.1-599.3338 m/z
Peaks: 4721 (about 393 per sample)
Peak Groups: 0
Sample classes: KO, WT

Peak picking was performed on MS1.
Profile settings: method = bin
                  step = 0.1

Memory usage: 0.713 MB
> xset <- group(xset)
262 325 387 450 512 575
> xset2 <- retcor(xset, family="symmetric", plottype="mdevden")
Retention Time Correction Groups: 133
Error in plot.new() : figure margins too large