Logged-in Users are welcome to leave informal comments, suggestions etc. here. For reporting bugs, please use the bug tracker.
User anonymous wrote at 2010-12-17 12:59:50.0:
Search by spectrum with multiplicities works properly again. Thus, (128D) or (206S, 32Q) gives
User anonymous wrote at 2010-05-29 15:49:31.0:
Is it possible to use multiplicities instead of intensities in a search? Such a facility will provide more usefull information than when intensitues are used. Unanymous Stellenbosch South Africa
Multiplicities can be used, just put them after the shift like 128D etc.
User anonymous wrote at 2010-04-30 13:29:41.0:
If I click on "Statistics about NMRShiftDB" at the home page, on the "Spectra per spectrum type" plot, I can only see the name of every second coloumn.
User anonymous wrote at 2010-03-20 18:51:12.0:
See weblog of chemspider about comparison of NMRShiftDB and CSEARCH - not the old story about data quality !
Test the examples given there, otherwise you wont believe that cis/trans-isomerism is already a problem for NMRShiftDB ...........
The URLs have also been given at the CHEMSPIDER-weblog, here you cant put an URL into the guestbook !
User anonymous wrote at 2010-02-09 17:11:11.0:
The site is extremely useful and very robust_it seems.Very well done!My wish:Would it be very complicated to provide downloading capability in JCAMP format as well?
JCAMP export will be in the next release
User anonymous wrote at 2009-05-19 03:00:03.0:
I really like the idea of this site, however I would love to narrow my chemical shift search by nucleus. I was surprised how many compounds returned a 13C shift below zero when I wanted 31P! Less than 10% of the results even contained P. If there is a way to do this, it is not currently addressed in the FAQ. Thanks!
See new FAQ item.
User anonymous wrote at 2008-12-25 17:03:45.0:
I was able to find the spectra for my unusual compound! Thanks! I want to suggest, though, that this service provide the splitting patterns for the 1H NMR spectra. These patterns would further assure users of the accuracy of the results.
User anonymous wrote at 2008-10-26 02:18:05.0:
Really neat site! Thanks for this excellent resource!
User anonymous wrote at 2008-03-29 11:12:44.0:
Thanks for correcting the entry according to my proposals ! Wolfgang Robien
User anonymous wrote at 2008-03-26 19:29:06.0:
Best regards, Wolfgang Robien
User anonymous wrote at 2008-01-01 04:50:39.0:
Excellent. This is the only site so far where I can data on unusual alkaloids. Great site!
User anonymous wrote at 2006-09-05 12:10:04.0:
How can I get the information how many N, P, Si and P spectra are in the database.Thanks
Admin comment: The figures are not directly available, I am afraid. Today they are: 38 31P, 3 29Si, 77 15N
User anonymous wrote at 2006-08-30 09:01:01.0:
Hello i really like your site!
User anonymous wrote at 2006-01-27 16:24:27.0:
I cant find coupling constants for any 1H spectra yet. Will this be added?
Admin comment: There are now 28 spectra with coupling constants. To have more depends on user entries. Some examples of coupling constants (search with Molecule NMRShiftDB-Number):
User anonymous wrote at 2006-01-27 16:14:49.0:
Adding FID files (varian, bruker or whatever format doesnt matter) to the linelists would greatly enhance the usability of the database.
Maybe you should cooperate with SDBS (http://www.aist.go.jp/RIODB/SDBS/cgi-bin/direct_frame_top.cgi?lang=eng), which displays some 32k spectra at this moment online. They have also real spectrum info.
User anonymous wrote at 2006-01-06 11:13:24.0:
Request for spectrum and molecule as simple html does not work.
Admin comment: Should work now
User steto123 wrote at 2005-10-25 09:34:25.0:
how can i start mynmrshiftdb?
Download the binary distribution, unpack it and start the mynmrshiftdb.bat on Windows / mynmrshiftdb.sh on Unix. If you do not have a Java Runtime installed, you need to do so. If there are questions feel free to email me at email@example.com
User anonymous wrote at 2005-07-21 17:28:50.0:
I haven't found any actual spectra, just peak lists converted into pseudo-spectra. Am I missing something here? If not, are there plans for displaying actual spectra in the little java applet? Does that technology already exist?
Admin comment: You are right. We do not currently have complete spectra, only peak lists. This is because we aim at CASE and we think peak lists are right for this.Ã We think about saving raw data together with the database.
User anonymous wrote at 2005-06-10 23:19:13.0:
Aborigini question: I would like to be able to find proton spectra for simple molecules for my organic classes. Even when I specifiy proton spectra, however, I only seem to getr C13 spectra. What's the trick for gettting the 1H-nmr spectra? Thanks.
Admin comment: Currently search for specific types is only possible with the spectrum search. We will offer this for all types of searches in one of our next releases. Note that if there is no 1H spectrum for a structure we simply don't have it. Feel free to contribute.
User anonymous wrote at 2004-11-22 16:43:55.0:
HTML request (Printout). Atom numbers in structure are nonreadable in more crowded structures. Hydrogen should be removed in the case of of carbon shifts. Structure should be enlarged.
Admin comment: Next release will resize picture according to atom number and not have hydrogens.
User kaempchen wrote at 2004-07-12 10:12:47.0:
Concerning new features: Do you think ist will be possible in the near future to get structure predictions similar to http://www.jeol.com/nmr/docs/SMASH_2003.pdf?.
Admin comment: I'm afraid we won't manage such a totally automated facility except some spectrometer manufacturers are willing to cooperate. But I think that the new JCamp reader which will be included in the next release is a major improvment.
User anonymous wrote at 2004-06-29 13:28:52.0:
ich versuche gerade nmrshiftdb unter SUSE Linux 9 zu installieren, da ich an einem anderen Kern interessiert bin. Leider wehrt sich das System an einigen Stellen sehr heftig. Zum einem lässt sich jetspeed nicht compiliren und auch das compiliren von udf_nmrshiftdb.cc ging nur mit einer ältern Version. Desweitern ist das laden von Sourceforge mittels cvs nicht möglich.
Es wäre prima, wenn wir in ontakt kommen könnten (firstname.lastname@example.org)
User egonw wrote at 2004-06-22 11:36:09.0:
It would be nice if I could also get a cc of comments I sent to the submitter when reviewing a submission...
User shk3 wrote at 2004-06-08 12:42:40.0:
The files in question were actually compressed. The next release will certainly contain this hint in the help, will probably give a better error message specifying the file is compressed and perhaps in the future reading of compressed files will be possible (we can't promise this!).
User shk3 wrote at 2004-06-04 19:50:29.0:
Comment from the developers of the jcamp parser is: Only uncompressed formats ! No JCAMP CS !At least all label-data-tags should be parsed. Do did you have compressed data? If no, please send me (Stefan Kuhn) one of your files and I will try to figure it out.
User kaempchen wrote at 2004-06-03 16:24:27.0:
Which types of JCAMP-DX files are supported ? I have tried V 5.0, 5.01 and 6.0, but none of the files, which have been generated by our NMR-software works. I tried to use one of these files as input for Search.
User shk3 wrote at 2004-05-11 11:23:11.0:
Answer: There are currently proton spectra, they can be added (see front page statistics). Prediction is a problem, since normal HOSE codes don't work well for proton spectra. We think about a stereochemically enhances HOSE code for predicting proton spectra.
User anonymous wrote at 2004-05-11 11:14:38.0:
What is about proton-spectra ? Are there plans to add proton-spectra to the database and also to predict them ?
User anonymous wrote at 2004-03-24 10:19:55.0:
Fragen werden selbstverständlich beantwortet. Vielleicht ergibt sich ja auch eine Diskussion.
User anonymous wrote at 2004-03-22 16:41:11.0:
hier kann man kommunizieren. Vermutlich werden auch Fragen beantwortet. Man kan auch eventuellen
Frust ablassen, falls etwas nicht gefaellt (hko).
User shk3 wrote at 2004-03-05 12:54:34.0:
We hope to get more feedback from our users via this guestbook. For example we would like to know why quite a few people register, but only some do submit spectra.