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Your response just jogged my memory. At least most of the diagonal peaks I have are from the 15N NOESY, and I think all are from "Make Assigned Restraints". IIRC, most or all of the ones that have crept through have other assignments in the indirect dimension in addition to the autopeak assignment, for example the i+1 amide shift is (nearly) the same and I assigned it because that NOE "should" be there. Of course, any quantification of that contribution would be meaningless... In fact, now that I think about it more, I get a restraint that only has the secondary contribution(s), ignores the same resonance, and then has a horribly skewed intensity. I suppose there could be a filter to exclude (or at least flag) these, but not as a high priority. So it looks like the feature is there and probably working as expected. I'll be making a new set of restraints sometime in the next week and I'll let you know if I get anything unexpected based on your description. I do have the button checked in the "Shift Match Restraints" tab. Thanks, Andrew -- Dr. Andrew Fowler | University of Iowa Associate Director | B291 Carver Biomedical Research Building Medical NMR Facility | Iowa City, IA 52242 319-384-2937 (office) | 319-335-7273 (fax) [log in to unmask] On 7/6/11 10:38 AM, "Wayne Boucher" <[log in to unmask]> wrote: >Hello, > >We just tried it here (on 2.1.5 and 2.2.1) and it looks like if the peak >is assigned then "Make Assigned Restraints" ignores it (so, if it is >diagonal, so the two resonances are the same) and if it is not assigned >then "Make Shift Match Restraints" has an option to "Ignore diagonal >peaks" where the tolerances are as specified in the Min/default PPM >tolerance. Which of these two buttons were you using? > >Wayne > >On Wed, 6 Jul 2011, Fowler, Andrew wrote: > >> It's possible I'm missing something here, but is there any way under >>make distance >> restraints to exclude diagonal/auto peaks? If not, can this be a >>feature request >> for v.3 (and I'll deal with them manually for now)? I can't imagine it >>would be >> very hard to exclude a peak if it satisfies the condition shift 1 = >>shift 2 (± >> tolerance), although the special case of 4D 13C-13C NOESY would require >>comparing a >> second pair of shifts. >> >> Andrew >> >> -- >> Dr. Andrew Fowler | University of Iowa >> Associate Director | B291 Carver Biomedical Research >>Building >> Medical NMR Facility | Iowa City, IA 52242 >> 319-384-2937 (office) | 319-335-7273 (fax) >> [log in to unmask] >> >> >> >>_________________________________________________________________________ >>_________________ >> Notice: This UI Health Care e-mail (including attachments) is covered >>by the >> Electronic Communications Privacy Act, 18 U.S.C. 2510-2521, is >>confidential and may >> be legally privileged. If you are not the intended recipient, you are >>hereby >> notified that any retention, dissemination, distribution, or copying of >>this >> communication is strictly prohibited. Please reply to the sender that >>you have >> received the message in error, then delete it. Thank you. >> >> >>_________________________________________________________________________ >>_________________ >> ________________________________ Notice: This UI Health Care e-mail (including attachments) is covered by the Electronic Communications Privacy Act, 18 U.S.C. 2510-2521, is confidential and may be legally privileged. If you are not the intended recipient, you are hereby notified that any retention, dissemination, distribution, or copying of this communication is strictly prohibited. Please reply to the sender that you have received the message in error, then delete it. Thank you. ________________________________