Hello,
Tim's thoughts below.
Wayne
> 1. Recalibrate distances – for a whole table would be fine, but selected
> restraints might (?) be nicer. Even just recalculating the "scaled" volume
> and corresponding distance ranges would be really helpful, but being able to
> switch between volume and intensity and/or from individual distance ranges
> to/from bins would be nice.
Good idea. Fairly easy. On the v3 to-do list.
> 2. "Add restraint for selected peak" and prompt for which table to add to -
> currently the only way I know to do this is to create a new restraint list. A
> common case is that I've assigned something that was previously of too low
> merit to include.
Also fairly easy. On the v3 to-do list.
> A few other wish-list items:
>
> 3. Could the ordering of assignments in the peak table be fixed so that (for
> example) the indirect proton dimension is always first and the direct last or
> vice versa? It seems that sometimes when I update assignments, the labels get
> reversed (and even mixed within a given restraint) which is mildly annoying.
There may be a bug here as I thought the direct dim was already supposed to be
first, but I guess it is getting mixed up later on. Shouldn't be too hard to
sort in the current versions. (When I have time)
> 4. An option to re-split a restraint that was previously merged and has
> contributions from two or more peaks. Sometimes in further analysis possible
> contributions get added to/subtracted from just one of the peaks so they're
> no longer identical. This might also help in the case where a peak has been
> deleted…
Sure. Easy enough. (v3 though)
> 5. For making bins, it would be nice to see some sort of histogram or other
> depiction of the scaled intensities/volumes to help in setting the bins up.
Ditto. v3 again.
All good ideas, just wait for the new version and complain if they're not
there...
|