RE: AMMRL: Iconnmr question

From: Gopal Subramaniam <Gopal.Subramaniam_at_qc.cuny.edu>
Date: Sat, 19 Oct 2013 18:15:53 +0000

Someone clicked cancel and then submitted again OR the user forgot to submit the sample and somoneelse submitted. I assume you configured icon-nmr to give users the ability to change the number of scans, enabled (or disabled) night and weekend runs and priority. Check these settings. From what I understand, you have disabled priority handling, but enabled night and weekend runs and users have full right to change parameters. If priority or daytime run is enabled, there is a setting for completing the run before taking up a new sample. If these are correctly set and the user sees a long time for their run as soon as 'ns' is changed, it should work correctly. Gopal Subramaniam Queens College - CUNY Queens, NY 11367 ________________________________________ From: Keith Brown [brownk_at_chem4823.usask.ca] Sent: Friday, October 18, 2013 2:02 PM To: ammrl_at_ammrl.org Subject: AMMRL: Iconnmr question Hi folks. I had an odd occurrence last weekend with iconnmr. A user submitted a sample for 1H and 13C apt in sample holder 54. The 13C experiment was quite long; 48000 scans. On Monday the experiments were finished *but* only 256 scans were done for the 13C experiment and the user was understandably upset. Even more puzzling is the order in which samples ran from the iconnmr log. Sample 53 ran, followed by 55 and 56 and *then* 54 went in, ran the 1H and came out without running the 13C experiment. Samples 57, 58 .... 8,9 then ran and then 54 went back in to run the 13C experiment. Huh? It looks very like someone tampered with the order of things so that their experiment would run before the long 13C (which is quite possible since we don't use very secure passwords) but I'm not positive of this and I don't want to open a can of worms without investigating this fully. We have no special priority setup for iconnmr ... samples should run sequentially. So why would the order be 53, 55, 56, 54, 57, 58 .... 9, 54? Even if someone tampered with iconnmr, perhaps by stopping and restarting at holder number 55, why would it not continue sequentially? Suppose that the user for holder 55 did this. Would not the sequence be 55, 56, 57, 58 ....9, 54? I should add that these experiments were running overnight and it is likely that nobody was in the lab except at the time when 55 went in (~7:00pm, Friday evening). So, my question is this: has anyone ever seen iconnmr do things out of sequence in a similar fashion to the above occurrence? In other words is there a chance that the software did this or is it more likely that the software was tampered with? I have never seen this happen in 10+ years of working with iconnmr and am leaning towards the tampering hypothesis but ... Dr. Keith Brown Department of Chemistry/ Saskatchewan Structural Sciences Center University of Saskatchewan Saskatoon, Saskatchewan 306-966-1725 http://chem4823.usask.ca/chem112/kbrown.html -------------------------------------------------------------------------------------- In theory, there is no difference between theory and practice. In practice, there is. --------------------------------------------------------------------------------------
Received on Sat Oct 19 2013 - 08:15:59 MST

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