Recent changes to features

Colours in structure images

Stefan Kuhn — Mon, 21 Dec 2020 13:23:32 -0000

The atoms are often not clearly visible, e. g. Fluorine.

#52 Submit, selection "spectrum type"

Stefan Kuhn — Sun, 15 Dec 2019 14:05:37 -0000

status: open --> closed

#52 Submit, selection "spectrum type"

Nils Schloerer — Sat, 14 Dec 2019 18:41:58 -0000

Description has changed:

Diff:

--- old
+++ new
@@ -1,2 +1,2 @@
 In this scroll-down list, one of the lower entries is &#34;fluorescence&#34; (with &#34;..uo..&#34; and not &#34;..ou..&#34; as currently.
-Also, there should be an option for HMQC-TOCSY, HSQC-TOCSY, HSQMBC, J-RES, DOSY, EXSY, STD, waterLOGSY, HETCOR as further choices
+Also, there should be an option for HMQC-TOCSY, HSQC-TOCSY, HSQMBC, J-RES, DOSY, EXSY, STD, waterLOGSY, HETCOR, selTOCSY as further choices

Submit, selection "spectrum type"

Nils Schloerer — Sat, 14 Dec 2019 17:59:51 -0000

In this scroll-down list, one of the lower entries is "fluorescence" (with "..uo.." and not "..ou.." as currently.
Also, there should be an option for HMQC-TOCSY, HSQC-TOCSY, HSQMBC, J-RES, DOSY, EXSY, STD, waterLOGSY, HETCOR as further choices

Submit, selection "spectrum type"

Nils Schloerer — Sat, 14 Dec 2019 17:59:51 -0000

Ticket 52 has been modified: Submit, selection "spectrum type"
Edited By: Nils Schloerer (nes-cgn-nmr)
Description updated:
--- description-old

+++ description-new

@@ -1,2 +1,2 @@

In this scroll-down list, one of the lower entries is "fluorescence" (with "..uo.." and not "..ou.." as currently.
-Also, there should be an option for HMQC-TOCSY, HSQC-TOCSY, HSQMBC, J-RES, DOSY, EXSY, STD, waterLOGSY, HETCOR as further choices
+Also, there should be an option for HMQC-TOCSY, HSQC-TOCSY, HSQMBC, J-RES, DOSY, EXSY, STD, waterLOGSY, HETCOR, selTOCSY as further choices

Submit, selection "spectrum type"

Nils Schloerer — Sat, 14 Dec 2019 17:59:51 -0000

Ticket 52 has been modified: Submit, selection "spectrum type"
Edited By: Stefan Kuhn (shk3)
Status updated: u'open' => u'closed'

Field "additional remarks"

Nils Schloerer — Sat, 14 Dec 2019 08:33:04 -0000

Cannot find the field for additional remarks during submission process (this should be there to enter e.g. property of the data => important)

Choice of additional experiments

Nils Schloerer — Fri, 13 Dec 2019 08:53:46 -0000

If one submits a complete package (i.e. from CMCse or Mnova), after having added the experiments that are recognized by nmrshiftdb, one might want to add some extra data (which are not included in the package). I.e. 1D selective spectra, heteronuclear exp. etc. In that case, there is currently no option to do so in the same run.

Submission (repeated entries)

Nils Schloerer — Fri, 13 Dec 2019 08:51:56 -0000

When entering various spectra for one molecule, it seems that still, the literature entry needs to be repeated? Also, how about visibility of (already) existing entries from the previous spectrum of the same molecule (i.e. couldn't CAS #, names and lit. be pre-entered as is for the mandatory fields field, solvent etc.??). It would make also make sense to skipe repetitive steps that are not needed (i.e. literature, metadata) and make them only visible upon clicking on the corresponding timeline field.

Export in prediction

Stefan Kuhn — Thu, 01 Nov 2018 14:14:21 -0000

Predicted results should be exportable, just like the quickcheck