Dominik Demuth
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a9d284eabe
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rethink choices of 0c7ca0b9ba; minimum selection at least should work, cf. #166
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2023-12-04 19:38:29 +01:00 |
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Dominik Demuth
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20592e05c6
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undo stuff I introduced in aa0d14a322; should fix #165, reopens #151
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2023-12-01 20:19:09 +01:00 |
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Dominik Demuth
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728eb34ca7
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ignore sets without start parameter in fit prep
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2023-12-01 17:58:48 +01:00 |
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Dominik Demuth
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843866be45
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Fit: Ignore complex_state, if no complex function is selected; closes #144
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2023-11-30 19:21:21 +01:00 |
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Dominik Demuth
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aa0d14a322
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Make FitResults from all fixed parameters; closes #151
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2023-11-30 18:16:07 +01:00 |
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Dominik Demuth
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12726e6f56
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set order is now respected for fits; fixes #161
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2023-11-30 17:47:53 +01:00 |
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Dominik Demuth
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d146f4fe7e
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Merge remote-tracking branch 'origin/master'
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2023-11-29 19:35:31 +01:00 |
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Dominik Demuth
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edf69b6424
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check if start parameter of fits are given; closes #157
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2023-11-29 19:24:57 +01:00 |
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Dominik Demuth
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e662dcf03c
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add warning for non-working interpolations; fixes #159
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2023-11-29 19:16:58 +01:00 |
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Dominik Demuth
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bb5c6a5491
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check each tab if connected figure exists; maybe closes #150
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2023-11-29 18:14:04 +01:00 |
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Dominik Demuth
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386bc5a371
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undo of sets were missing from graph delete undo
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2023-11-29 18:14:04 +01:00 |
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Dominik Demuth
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0c7ca0b9ba
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set options to make paintEvents faster; does not much for RAM usage (closes #104)
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2023-11-29 18:14:03 +01:00 |
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7c71061877
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deal with missing weight key get_state and set_state; partly fixes #158
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2023-11-29 08:11:14 +00:00 |
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Dominik Demuth
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8a6c909c3e
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button to reset view limits of fit results; closes #156
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2023-11-28 19:31:05 +01:00 |
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Dominik Demuth
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340d5d1038
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fit results are auto-scaled if data was not fit before; related to #156
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2023-11-28 18:31:19 +01:00 |
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Dominik Demuth
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e063abc712
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fix grace export bugs; closes #155
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2023-11-23 19:43:50 +01:00 |
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Dominik Demuth
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412708cecd
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set cursor position manually in fit data parameter; closes #153
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2023-11-23 18:40:56 +01:00 |
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Dominik Demuth
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c7a21c72f2
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graph keys were not deleted in tabs because of tab switching; closes #150
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2023-11-22 18:30:17 +01:00 |
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Dominik Demuth
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929bb80f2f
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edit spectra should now work better; closes #152
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2023-11-22 17:48:08 +01:00 |
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Dominik Demuth
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dfe9eab817
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fix 3.9/3.10 problem with traceback of last commit
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2023-11-20 19:43:35 +01:00 |
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Dominik Demuth
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d18b3ee671
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catch all exceptions during import of usermodels.py; closes #149
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2023-11-20 19:06:02 +01:00 |
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Dominik Demuth
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64b270d7c1
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remove enableAutoRange call to stop unwanted rescales; closes #143
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2023-11-15 20:16:17 +01:00 |
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Dominik Demuth
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8fb17b22fd
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fit results save weight; closes #139
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2023-11-13 18:46:46 +01:00 |
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Dominik Demuth
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f04cadf780
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remember header settings in ascii dialog; fixes #140
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2023-11-13 18:03:57 +01:00 |
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Dominik Demuth
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ae45ff2e55
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set name of fit results manually; fix #138
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2023-11-13 17:17:50 +01:00 |
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Dominik Demuth
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735896e68d
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background color of legend is not changed; fixes #141
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2023-11-13 17:11:38 +01:00 |
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Dominik Demuth
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aff9cd31a7
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add "index" keyword to ascii reader to use row number; part of #135
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2023-11-10 18:56:13 +01:00 |
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8772fa9e7a
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add __future__ import to fix #136
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2023-11-10 10:17:42 +00:00 |
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Dominik Demuth
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9c5d91918f
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added f-omega option to log-fourier transform; closes #134
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2023-11-09 17:50:29 +01:00 |
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Dominik Demuth
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dbb35cdba4
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added f-omega option to bds fit functions; closes #133
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2023-11-09 17:26:57 +01:00 |
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Dominik Demuth
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070509c691
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do not overwrite old backup until new backup is done
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2023-11-09 17:05:17 +01:00 |
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Dominik Demuth
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5ea1ed6d0a
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change level of appimage version logger
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2023-11-07 17:50:32 +01:00 |
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Dominik Demuth
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a1691f11a6
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remove leading space in ascii preview, because some dimwit wants to use spaces in the beginning of his files...
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2023-11-07 17:07:47 +01:00 |
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Dominik Demuth
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f956c111c2
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regex for numeric value for data from text files; closes #127
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2023-11-05 17:23:51 +01:00 |
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Dominik Demuth
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cb2bc78a2a
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work on edit signals
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2023-11-05 15:25:31 +01:00 |
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Dominik Demuth
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9e9751cd9d
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add log to edit signal
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2023-11-05 15:21:19 +01:00 |
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Dominik Demuth
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5a8ef8c9c7
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change wording for delete previous fit in fitresult
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2023-11-05 15:17:59 +01:00 |
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45f5eb9bef
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Update src/gui_qt/data/container.py
phase correction should be done when users wants it; closes #129
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2023-11-02 13:05:18 +00:00 |
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Dominik Demuth
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5116622e42
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fixed fit parameter ignore boundary problems; fixes #128
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2023-11-01 18:33:52 +01:00 |
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Dominik Demuth
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661ab81d7e
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fix edit dialog for spectra
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2023-10-31 19:12:02 +01:00 |
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Dominik Demuth
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185dd160f1
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fix import of agr with missing legends
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2023-10-30 19:34:18 +01:00 |
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Dominik Demuth
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7fe564a61e
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more interactive edit
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2023-10-25 20:04:49 +02:00 |
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Dominik Demuth
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6339bdc2cc
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escape backslashes in fit function equation
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2023-10-17 18:16:31 +02:00 |
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Dominik Demuth
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37a6d789bb
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increase precision in log-gaussian integration
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2023-10-02 12:31:40 +02:00 |
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Dominik Demuth
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cde794cb0d
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parabola on a log-scale added
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2023-09-28 17:55:25 +02:00 |
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Dominik Demuth
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2a69147ed4
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remove slot reference in parameter.get_state; fixes #125
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2023-09-28 15:43:55 +02:00 |
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Dominik Demuth
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902a35b71a
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check if Default.agr knows what a graph is; helps with #124
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2023-09-27 18:06:53 +02:00 |
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Dominik Demuth
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6f76349932
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Merge branch 'fit_bounds'
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2023-09-27 15:39:23 +02:00 |
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Dominik Demuth
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f9bb466cb3
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fix data look-up for multiple fit models
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2023-09-27 15:38:55 +02:00 |
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Dominik Demuth
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a97c31325f
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1/p bounds in ui
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2023-09-27 15:32:19 +02:00 |
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Dominik Demuth
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207ee5bffd
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1/p bounds added
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2023-09-27 13:55:37 +02:00 |
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Dominik Demuth
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0046d04683
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improve performance building data tree
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2023-09-19 17:22:59 +02:00 |
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Dominik Demuth
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9463ed1e6c
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improve performance for show/hide graphs
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2023-09-19 17:05:06 +02:00 |
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Dominik Demuth
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ea62a05bd3
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improve performance for show/hide graphs
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2023-09-19 16:32:54 +02:00 |
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Dominik Demuth
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c5706084bf
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fixing merge problems
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2023-09-19 12:48:12 +02:00 |
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Dominik Demuth
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04037d6b4d
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Merge branch 'fit_constraints'
# Conflicts:
# src/gui_qt/main/management.py
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2023-09-19 12:39:32 +02:00 |
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Dominik Demuth
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dedb130163
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make final fit parameter values
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2023-09-19 12:35:24 +02:00 |
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Dominik Demuth
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6ecc4a4126
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make final fit parameter values
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2023-09-19 12:34:44 +02:00 |
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Dominik Demuth
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067857eda2
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minor fixes
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2023-09-19 12:22:33 +02:00 |
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Dominik Demuth
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41d90bb15f
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minor fixes
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2023-09-19 11:33:52 +02:00 |
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Dominik Demuth
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8d994bb9b4
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fixed preview
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2023-09-18 17:39:31 +02:00 |
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Dominik Demuth
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2cbc7e8d75
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more detailed error message in fit preparation
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2023-09-18 16:08:42 +02:00 |
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Dominik Demuth
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1d22f22901
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Parameter in preview
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2023-09-18 15:30:06 +02:00 |
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Dominik Demuth
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bd1a227e4c
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use Parameter when collecting fit values
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2023-09-18 13:52:10 +02:00 |
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Dominik Demuth
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03d172bade
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use Parameter when collecting fit values
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2023-09-18 11:43:28 +02:00 |
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Dominik Demuth
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e51a02d277
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improvement of t1 calc
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2023-09-16 17:42:59 +02:00 |
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Dominik Demuth
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3af5cb0301
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add todos
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2023-09-16 14:16:45 +02:00 |
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Dominik Demuth
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22f317da8d
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remove wonky path variable from graph export to use last directory instead; closes #121
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2023-09-13 17:25:53 +02:00 |
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Dominik Demuth
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24b56cbd2a
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calc_relaxation: create copy of x to avoid unintended overwrite
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2023-09-13 17:16:57 +02:00 |
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5fd52a1a44
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Update src/nmreval/distributions/loggaussian.py
fix typo; closes #119
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2023-09-12 07:07:36 +00:00 |
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Dominik Demuth
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d8e5de6b7a
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T1+T2 calculation now always iterates over all args that can be from data
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2023-09-11 19:50:58 +02:00 |
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Dominik Demuth
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869901596b
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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
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2023-09-11 18:18:30 +02:00 |
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Dominik Demuth
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e4dbaf2b91
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work on ui
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2023-09-11 18:09:08 +02:00 |
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Dominik Demuth
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dee1271fe1
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add action to context menu to replace single set fit parameter with general fit parameter
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2023-09-08 18:59:14 +02:00 |
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Dominik Demuth
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b8bab2af7b
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fixed LG+CC spectral density calculation for omega=0; closes #118
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2023-09-08 18:10:19 +02:00 |
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Dominik Demuth
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a406908a69
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catch errors in fit preparation
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2023-09-07 19:52:53 +02:00 |
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Dominik Demuth
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5e55f06723
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add completer to general fit linedit
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2023-09-07 19:30:10 +02:00 |
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Dominik Demuth
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e2e52cebde
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fixed overwrite of weight option for deltay, resulted in invalid weights; closes #117
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2023-09-07 17:48:49 +02:00 |
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Dominik Demuth
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53c58b2bbb
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disable validators
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2023-09-06 17:45:57 +02:00 |
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4e865cd0c6
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Update src/gui_qt/nmr/t1_from_tau.py
Add Log-Gaussian to T1 calculation; closes #116
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2023-09-06 10:20:22 +00:00 |
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Dominik Demuth
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311157a01a
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fix parameter setting after fitting multiple models
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2023-09-03 20:17:07 +02:00 |
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Dominik Demuth
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f0ee2073ad
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fixed wrong order for nested fit functions; swapped exchange rates in Peschier model
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2023-08-31 19:34:13 +02:00 |
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Dominik Demuth
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d2e63a5ee3
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refactor odr
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2023-08-29 19:44:09 +02:00 |
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Dominik Demuth
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5a153585ee
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write error for global fits
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2023-08-29 19:11:56 +02:00 |
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Dominik Demuth
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d17d0f251e
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work on linked models
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2023-08-26 20:08:13 +02:00 |
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Dominik Demuth
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0b8f4932b2
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seems mostly to be working
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2023-08-25 18:46:36 +02:00 |
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Dominik Demuth
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5d43ccb05d
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fit with global parameter
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2023-08-24 16:19:09 +02:00 |
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Dominik Demuth
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88a32ea7fd
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multiple single fits working
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2023-08-15 18:44:08 +02:00 |
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Dominik Demuth
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7febe55929
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order of fits correspond order in graph, fit result window has correct order, see #109
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2023-08-07 18:42:10 +02:00 |
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Dominik Demuth
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783fe505ba
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better check for valid class and argument names in fit function creation
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2023-08-06 16:41:22 +02:00 |
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Dominik Demuth
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2fed4bb0bf
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fit creation dialog uses option name for kwargs
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2023-08-05 17:53:24 +02:00 |
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Dominik Demuth
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ec8fafcc9c
|
correct type for linenumbers in codeeditor
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2023-08-05 15:31:17 +02:00 |
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Dominik Demuth
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7762758958
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save original expression
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2023-08-04 17:58:48 +02:00 |
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Dominik Demuth
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e612c607e2
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Merge remote-tracking branch 'origin/master'
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2023-08-01 19:59:16 +02:00 |
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Dominik Demuth
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b27d9b55ff
|
subclass every PlotWidget because logtickvalues
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2023-08-01 19:47:55 +02:00 |
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Dominik Demuth
|
3475650899
|
signal b/w change in graph was not connected
|
2023-08-01 18:06:33 +02:00 |
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Dominik Demuth
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0eca306ebe
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assert that log scale is finite
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2023-08-01 18:00:23 +02:00 |
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d7eaff5f0b
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functioning apply button for tau calculation, part of #109
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2023-08-01 06:54:35 +00:00 |
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Dominik Demuth
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a5216b1eed
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constrain legend rect to be fully inside viewbox; simplest solution to fix #113
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2023-07-31 20:17:31 +02:00 |
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cf1565f7d3
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use symbol for length 1 data in shift/scale; fixes #112
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2023-07-31 11:48:57 +00:00 |
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