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338 Commits 8 Branches 1 Tag 16 MiB
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Author SHA1 Message Date
Dominik Demuth
185dd160f1 fix import of agr with missing legends 2023-10-30 19:34:18 +01:00
Dominik Demuth
7fe564a61e more interactive edit 2023-10-25 20:04:49 +02:00
Dominik Demuth
6339bdc2cc escape backslashes in fit function equation 2023-10-17 18:16:31 +02:00
Dominik Demuth
37a6d789bb increase precision in log-gaussian integration 2023-10-02 12:31:40 +02:00
Dominik Demuth
cde794cb0d parabola on a log-scale added 2023-09-28 17:55:25 +02:00
Dominik Demuth
2a69147ed4 remove slot reference in parameter.get_state; fixes #125 2023-09-28 15:43:55 +02:00
Dominik Demuth
902a35b71a check if Default.agr knows what a graph is; helps with #124 2023-09-27 18:06:53 +02:00
Dominik Demuth
6f76349932 Merge branch 'fit_bounds' 2023-09-27 15:39:23 +02:00
Dominik Demuth
f9bb466cb3 fix data look-up for multiple fit models 2023-09-27 15:38:55 +02:00
Dominik Demuth
a97c31325f 1/p bounds in ui 2023-09-27 15:32:19 +02:00
Dominik Demuth
207ee5bffd 1/p bounds added 2023-09-27 13:55:37 +02:00
Dominik Demuth
0046d04683 improve performance building data tree 2023-09-19 17:22:59 +02:00
Dominik Demuth
9463ed1e6c improve performance for show/hide graphs 2023-09-19 17:05:06 +02:00
Dominik Demuth
ea62a05bd3 improve performance for show/hide graphs 2023-09-19 16:32:54 +02:00
Dominik Demuth
c5706084bf fixing merge problems 2023-09-19 12:48:12 +02:00
Dominik Demuth
04037d6b4d Merge branch 'fit_constraints' 
# Conflicts:
#	src/gui_qt/main/management.py
 2023-09-19 12:39:32 +02:00
Dominik Demuth
dedb130163 make final fit parameter values 2023-09-19 12:35:24 +02:00
Dominik Demuth
6ecc4a4126 make final fit parameter values 2023-09-19 12:34:44 +02:00
Dominik Demuth
067857eda2 minor fixes 2023-09-19 12:22:33 +02:00
Dominik Demuth
41d90bb15f minor fixes 2023-09-19 11:33:52 +02:00
Dominik Demuth
8d994bb9b4 fixed preview 2023-09-18 17:39:31 +02:00
Dominik Demuth
2cbc7e8d75 more detailed error message in fit preparation 2023-09-18 16:08:42 +02:00
Dominik Demuth
1d22f22901 Parameter in preview 2023-09-18 15:30:06 +02:00
Dominik Demuth
bd1a227e4c use Parameter when collecting fit values 2023-09-18 13:52:10 +02:00
Dominik Demuth
03d172bade use Parameter when collecting fit values 2023-09-18 11:43:28 +02:00
Dominik Demuth
e51a02d277 improvement of t1 calc 2023-09-16 17:42:59 +02:00
Dominik Demuth
3af5cb0301 add todos 2023-09-16 14:16:45 +02:00
Dominik Demuth
22f317da8d remove wonky path variable from graph export to use last directory instead; closes #121 2023-09-13 17:25:53 +02:00
Dominik Demuth
24b56cbd2a calc_relaxation: create copy of x to avoid unintended overwrite 2023-09-13 17:16:57 +02:00
Dominik Demuth
5fd52a1a44 Update src/nmreval/distributions/loggaussian.py 
fix typo; closes #119
 2023-09-12 07:07:36 +00:00
Dominik Demuth
d8e5de6b7a T1+T2 calculation now always iterates over all args that can be from data 2023-09-11 19:50:58 +02:00
Dominik Demuth
869901596b Merge branch 'main' into fit_constraints 
# Conflicts:
#	src/gui_qt/fit/fit_forms.py
#	src/gui_qt/main/management.py
#	src/nmreval/fit/minimizer.py
 2023-09-11 18:18:30 +02:00
Dominik Demuth
e4dbaf2b91 work on ui 2023-09-11 18:09:08 +02:00
Dominik Demuth
dee1271fe1 add action to context menu to replace single set fit parameter with general fit parameter 2023-09-08 18:59:14 +02:00
Dominik Demuth
b8bab2af7b fixed LG+CC spectral density calculation for omega=0; closes #118 2023-09-08 18:10:19 +02:00
Dominik Demuth
a406908a69 catch errors in fit preparation 2023-09-07 19:52:53 +02:00
Dominik Demuth
5e55f06723 add completer to general fit linedit 2023-09-07 19:30:10 +02:00
Dominik Demuth
e2e52cebde fixed overwrite of weight option for deltay, resulted in invalid weights; closes #117 2023-09-07 17:48:49 +02:00
Dominik Demuth
53c58b2bbb disable validators 2023-09-06 17:45:57 +02:00
Dominik Demuth
4e865cd0c6 Update src/gui_qt/nmr/t1_from_tau.py 
Add Log-Gaussian to T1 calculation; closes #116
 2023-09-06 10:20:22 +00:00
Dominik Demuth
311157a01a fix parameter setting after fitting multiple models 2023-09-03 20:17:07 +02:00
Dominik Demuth
f0ee2073ad fixed wrong order for nested fit functions; swapped exchange rates in Peschier model 2023-08-31 19:34:13 +02:00
Dominik Demuth
d2e63a5ee3 refactor odr 2023-08-29 19:44:09 +02:00
Dominik Demuth
5a153585ee write error for global fits 2023-08-29 19:11:56 +02:00
Dominik Demuth
d17d0f251e work on linked models 2023-08-26 20:08:13 +02:00
Dominik Demuth
0b8f4932b2 seems mostly to be working 2023-08-25 18:46:36 +02:00
Dominik Demuth
5d43ccb05d fit with global parameter 2023-08-24 16:19:09 +02:00
Dominik Demuth
88a32ea7fd multiple single fits working 2023-08-15 18:44:08 +02:00
Dominik Demuth
7febe55929 order of fits correspond order in graph, fit result window has correct order, see #109 2023-08-07 18:42:10 +02:00
Dominik Demuth
783fe505ba better check for valid class and argument names in fit function creation 2023-08-06 16:41:22 +02:00