Great idea! I say that because I had a similar idea all the way back in 2004/2005 when I wrote this code ;) Some additional points: - I also had the idea of letting the user set these themselves, through a user function argument (a list of number with 4 dimensions). This can be useful in scripting when you would like a set of OpenDX maps with all the same contour levels. You might even have a use for that. For comparisons, this is very powerful. - The logic needs to be a bit different. You can't use the minimum chi-squared value as that will not produce a surface. If your minimum surface is 10, then you need a decent number of points under 10 to show something. The maximum is the same. Maybe the outer isosurface could be the value between the highest 10% and the rest. And the innermost the lowest 10%. For the middle and inner isosurfaces, you can try this median logic, but you might find that median of the bottom half of the chi2 values is better for the middle isosurface. Then the inner could be the median of the bottom quarter of chi2 points. That's why I have 500, 100, 20, and 7. This is almost exponential. Such a behaviour shows the space better. Regards, Edward On 9 May 2014 17:03, Troels E. Linnet <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
URL: <http://gna.org/task/?7792> Summary: Make the dx.map write suggest chi surface values. Project: relax Submitted by: tlinnet Submitted on: Fri 09 May 2014 03:03:34 PM UTC Should Start On: Fri 09 May 2014 12:00:00 AM UTC Should be Finished on: Fri 09 May 2014 12:00:00 AM UTC Category: relax's source code Priority: 5 - Normal Status: None Percent Complete: 0% Assigned to: tlinnet Open/Closed: Open Discussion Lock: Any Effort: 0.00 _______________________________________________________ Details: The current dx.map will have standard values of: Outer Isosurface = 500. Middle Isosurface = 100. Inner Isosurface = 20. Innermost Isosurface = 7.0 I can take a little time in dx, to find reasonable chi2 values to map the space. The idea is to map: Outer Isosurface = Maximum chi2 value, which is not 1e20. Middle Isosurface = The median value of chi2. Inner Isosurface = The median of Middle Isosurface and Innermost Isosurface Innermost Isosurface = Minimum chi2 value. This can be done quite easily, by making the pipe_control.opendx.create_map() collect chi2 values under the creation of the map. Saving the min/max chi2 value, and find the median of all values. Then pass these values on to the lib/software/opendx/files.py to write in the .net program. _______________________________________________________ Reply to this item at: <http://gna.org/task/?7792> _______________________________________________ Message sent via/by Gna! http://gna.org/ _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel