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Topic: Large study (Read 5205 times) previous topic - next topic

Large study

Hi,

are there any specific issues associated with running a large number of samples (ca 650 incl blanks and QCs) using XCMS?

LC-MS data will probably aqcuired by an Agilent 6550, file size approx 500 MB in centroid mode. My computer has Windows 64, 16 GB RAM, and 12 processors.

I mainly wonder if the number of samples will exceed the maximum size of any vectors or objects - then I would want to consider this point already in the study design.

Thanks

Axel

Re: Large study

Reply #1
I will try to answer to the best of my knowledge.

This number of samples are in themselves not a problem. But your files are rather large. This means that the peaklist might get too big if a large number of features can be detected. You can increase the intensity threshold to get around this. But then you don't get much for the sensitivity of your instrument that you paid for. I think the R problem of large vectors was solved with R v3. So the problem you will have is the relatively low amount of memory you have. Memory is quite cheap so you should probably investigate how much memory can be put in the computer you have.

You could try to analyse a few samples, observed the amount of memory used, and extrapolate from that to your sample size (use real samples, not blanks or QCs with fewer compounds) to see how much memory you need. Currently using more than one core eats a disproportionate amount of memory so keep that in mind.
Blog: stanstrup.github.io

Re: Large study

Reply #2
Hi,

800 Samples had been used in this study:
http://www.ncbi.nlm.nih.gov/pubmed/20075252

In this study there are ~2000 samples in multiple batches:
http://www.nature.com/nprot/journal/v6/ ... 1.335.html

Yours,
Steffen
--
IPB Halle                          Mass spectrometry & Bioinformatics
Dr. Steffen Neumann         http://www.IPB-Halle.DE
Weinberg 3 06120 Halle     Tel. +49 (0) 345 5582 - 1470
sneumann(at)IPB-Halle.DE