Commit Graph

198 Commits

Author SHA1 Message Date
Dominik Demuth
2499aac7a1 check for value changes while tabbing in edit mode, avoid signal; closes #79 2023-06-12 20:40:00 +02:00
Dominik Demuth
6e976e1404 closes #78 interpolieren, auswahl von sets 2023-06-12 17:27:43 +02:00
Dominik Demuth
90bd33a680 check also for individual files in config directory; closes #76 2023-06-04 19:39:12 +02:00
Dominik Demuth
26fea8f69f remove temporary elements from graphs before deletion 2023-06-04 15:57:17 +02:00
Dominik Demuth
79a424c4bd fix mismatched indexes between data and labels in asciireader 2023-05-31 17:21:56 +02:00
Dominik Demuth
a5a9561b54 Merge remote-tracking branch 'origin/master' 2023-05-30 17:42:38 +02:00
Dominik Demuth
c8287c2dbf fix missing return of comments in asciireader 2023-05-30 17:42:12 +02:00
5590b5cd16 SelectionWidget has no function show_as_local_parameter; fixes #75 2023-05-24 09:00:31 +00:00
4e2938b2a2 proper handling of sets without label,; closes #73 2023-05-23 06:40:08 +00:00
Dominik Demuth
8d06240205 Merge branch 'fit' 2023-05-19 18:14:29 +02:00
Dominik Demuth
65034d4518 sub function show numbering; closes #70 2023-05-19 18:13:57 +02:00
Dominik Demuth
2adf15104f attempt to only show real/imag part of complex fit functions; closes #72 2023-05-19 17:35:32 +02:00
Dominik Demuth
cd9c85c12b add FID as fallback option for dtype in nmrreader 2023-05-19 16:56:01 +02:00
Dominik Demuth
84d136dd4c .nmr files recognize all data types; closes #71 2023-05-19 16:53:54 +02:00
Dominik Demuth
f60e125487 display parameter name with number ind window 2023-05-19 16:41:24 +02:00
Dominik Demuth
1e9a390ae2 attempt to distinguish general and set-specifi parameter 2023-05-19 16:17:49 +02:00
Dominik Demuth
8673e5acdb catch error in f-test 2023-05-19 16:00:04 +02:00
Dominik Demuth
66a0e40a23 display correct start parameter 2023-05-19 15:48:32 +02:00
Dominik Demuth
a1ab6335c5 remove remnants of fitresult redesign; closes #68 2023-05-19 13:25:56 +02:00
Dominik Demuth
681b49a22f Merge branch 'read_fc' 2023-05-19 11:37:42 +02:00
Dominik Demuth
3dcd44c3ee restore optionality to figure saving 2023-05-19 11:37:24 +02:00
Dominik Demuth
6e9dd4d45f use gnuplot as lightweight plotter 2023-05-19 11:33:02 +02:00
Dominik Demuth
888d86d9fe remove typo in AppImageBuilder.yml 2023-05-18 20:50:39 +02:00
Dominik Demuth
67d60949b5 plot fit and residual together with bigger fit 2023-05-18 20:43:45 +02:00
Dominik Demuth
49101565a3 fixed problem with setting color from context menu 2023-05-17 19:41:44 +02:00
255d7c7862 Update 'src/nmreval/io/dsc.py'
remove matplotlib import
2023-05-17 15:39:36 +00:00
Dominik Demuth
12dacb73b3 add QMessageBox to display existing backup files 2023-05-16 20:05:55 +02:00
Dominik Demuth
b127cc15e2 dsc: only use low temperature to baseline correct calibration without enthalpy 2023-05-16 19:22:50 +02:00
Dominik Demuth
753cd06dd1 pick position remembers selected destination graph; closes #62 2023-05-14 18:16:23 +02:00
Dominik Demuth
45d319834b fitresult window is reused and remembers fitplot range/log; closes #65
add color to sub-functions in fit result window
Fitresult window shows one set at a time, more space for plot; closes #66
2023-05-14 15:24:25 +02:00
Dominik Demuth
edf858da29 hacky solution to have correct tuda colors in agr file; closes #63 2023-05-11 20:12:32 +02:00
Dominik Demuth
e10b85b904 more correct lines preview in asciireader 2023-05-11 18:28:03 +02:00
Dominik Demuth
267554b252 check for empty line moved to avoid error 2023-05-11 18:00:29 +02:00
Dominik Demuth
233cdd9f80 add gnuplot to requirements for plots of FC reading 2023-05-10 17:09:11 +02:00
Dominik Demuth
15c959fd71 save fit parameter adds name to file as extra comment; possible solution for #59 2023-05-08 19:54:55 +02:00
Dominik Demuth
1378cf6ac7 Fitresult accepts label argument as set name 2023-05-08 18:48:08 +02:00
Dominik Demuth
a964e02612 correct baseline and slopes for calibration measurements at high DSC rates 2023-05-08 18:20:04 +02:00
Dominik Demuth
a72e4ba833 add logging to fit exception to retain more info; all references to current graph are either None or id 2023-05-03 19:06:35 +02:00
Dominik Demuth
75ec462efd add logging to fit exception to retain more info and find problem with #56; all references to current graph are either None or id, should close #57 2023-05-03 19:04:25 +02:00
Dominik Demuth
adcd98fc31 dsc baseline uses consistent offset for correction; closes #53 2023-05-02 17:35:28 +02:00
d8cc99cea4 dsc (#55)
closes #53

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #55
2023-04-30 18:21:16 +00:00
Dominik Demuth
7671a56b6f merge cfunc -> main 2023-04-30 14:59:58 +02:00
Dominik Demuth
8086dd5276 finalized c functions 2023-04-29 20:40:32 +02:00
Dominik Demuth
9479364a64 delete item after the iteration to find its index; closes #52 2023-04-27 19:08:14 +02:00
def2a99ed8 datawidget.py: raise AttributeError manually if item is graph, was not always raised; maybe problem of #52 2023-04-27 12:15:43 +02:00
Dominik Demuth
ac4a4d3b8e DSC: remove non-finite values due mismatch in beginnings of sample and empty 2023-04-24 19:24:23 +02:00
Dominik Demuth
dd1c26e285 more work on loggaussian 2023-04-23 19:55:53 +02:00
Dominik Demuth
eba7869c4d data list in QEvalDialog uses current names instead of stored 2023-04-19 19:43:04 +02:00
Dominik Demuth
efd5b34b13 create .local/bin folder for AppImage if not existent 2023-04-19 18:33:11 +02:00
Dominik Demuth
2d472bd44e lower epsabs for integration of energy barrier spec dens 2023-04-19 18:24:29 +02:00