[Mzmine-devel] RANSAC alignment and peak deconvolution (XCMS)

2012-07-27 Thread Raghavendra Gunnaiah
Dear Developers, 1. RANSAC alignment: Dear Dr. Sandra, your recommendation for the RANSAC alignment worked little better with alignment for at least 50% of the peaks . However, still I am not getting correct alignment for all the peaks. Kindly explain about the parameter "threshold value". With

[Mzmine-devel] RANSAC alignment

2012-07-17 Thread Raghavendra Gunnaiah
Dear Developers,I am not able to do proper alignment using RANSAC. Same peak is detected more than 2-3 times with in different rows, even though m/z values(0.01 0r 5 ppm) and RT (1.00 min) are within in the threshold values. Can you please help me in setting up parameters?I used centroid for mass d

Re: [Mzmine-devel] RANSAC alignment

2012-07-16 Thread Castillo Sandra
: mzmine-devel@lists.sourceforge.net Subject: [Mzmine-devel] RANSAC alignment Dear Developers, Greetings! To align 20 samples, I used following parameters in RANSAC m/z tolerance=0.02 or 25 ppm RT tolerance=1.5 min RT tolerance after correction= 1.00 min RANSAC iterations= 2000 Min no of points 30

[Mzmine-devel] RANSAC alignment

2012-07-16 Thread Raghavendra Gunnaiah
Dear Developers, Greetings! To align 20 samples, I used following parameters in RANSAC m/z tolerance=0.02 or 25 ppm RT tolerance=1.5 min RT tolerance after correction= 1.00 min RANSAC iterations= 2000 Min no of points 30% Threshold value= 0.03 (I also tried upto 0.5) After alignment, I do see lot o