retention time deviation July 18, 2012, 09:07:30 PM Hi,I have problem with retention time deviation.The instrument I am using is HPLC LTQ-orbitrab.my samples are deviating upto 0.5 min(rt deviation file attached)for this I have set a parameter bw=30sec(allowable RT correction) .so is this RT deviation of samples is acceptable or to reduce do I need to change parameter for RT correction?,if so what value shall I give.other parameters that I have set are as follows:1.negative ionisation2.centwave method3.ppm:20 (maximal tolerated m/z deviation in consecutive scans, in ppm (parts per million)4.min peak width:105.max peak width:806.s/n threshold:57.integration method:1prefilter peaks:39.peak intensity:250010.noise filter:250011.rt correction method:obiwrap12.profstep:113.bw=3014.mzwid:0.01515.minfrac:0.516.max:10017.minsample:318.isotopes and adducts19.5ppm20.for identification 5 ppm and for adducts M-Hplease let me know the set parameters are correct or do i need to change any of them.thank you .[attachment deleted by admin] Quote Selected
Re: retention time deviation Reply #1 – July 19, 2012, 06:26:08 PM If obiwarp is able to correct the retention time deviations (compare TICs before and after retention time correction, the retcor curve below looks OK)then you don't need to increase bw. Quote Selected
Re: retention time deviation Reply #2 – July 20, 2012, 08:26:41 AM Thank you ralf,I have another question for you.In xcms online maximum peak width that we can set is up to 90seconds but some compounds peak will be broader and will be detected more than 2 minuites.In such case if we give 90 seconds, will it divide the peak in to two? Quote Selected
Re: retention time deviation Reply #3 – July 20, 2012, 03:41:59 PM No, it will not split up the peaks.The peak width range is not a hard threshold it is merely used to generate the wavelets that are used for peak detection. Even if your peaks are slightly narrower or wider than the peak width range it will still detect them. Quote Selected