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brukeropusreader
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37 Commits

Author SHA1 Message Date
Michał Łazowik ed13492490
Merge pull request #26 from qedsoftware/license-change 
Switch license to LGPL
 2023-06-21 21:00:30 +02:00
Michał Łazowik 1aa776b4a1 Switch license to LGPL 
For approvals from copyright holders see #25

Closes #25
 2023-06-15 09:27:21 +02:00
Dzjkb 77287d24d0
Merge pull request #19 from htherrien/master 
Added power spectrum data block definition
 2022-12-14 16:39:10 +01:00
Author Name 9b5a418653 Added phase and power definitions to data blocks 
This is a generalization of commit 0866fee
 2022-02-04 18:14:20 -05:00
Hugo Therrien 0866feee3a Added power spectrum data block definition 2022-02-04 17:13:25 -05:00
Tomasz Dyczek 00b719e9c1
Merge pull request #9 from spectrochempy/master 
calculation of the xaxis + travis/conda configs
 2020-06-05 10:13:53 +02:00
Christian Fernandez a23b7daa20
Merge pull request #1 from atravert/master 
FIX wrong setting of wavenumbers axis
 2020-05-28 20:19:18 +02:00
Christian Fernandez 9b1fd2030b FIX: problem regarding travis build and anaconda upload 2020-05-28 18:57:59 +02:00
atravert e095621319 FIX wrong setting of wavenumbers axis 2020-05-28 09:37:34 +02:00
Christian Fernandez 6f08be0fca FIX: another error corrected (USER!) 2020-05-25 20:23:40 +02:00
Christian Fernandez cff4185953 FIX: uncommenting important step! 2020-05-25 20:13:53 +02:00
Christian Fernandez 0a6c19efdb DEV: conda build recipe and travis setup 2020-05-25 19:45:01 +02:00
Christian Fernandez 3f65d52466 DEV: modified setup to use setup tools 2020-05-25 19:44:26 +02:00
t2 5f2ecbfc26 Fixing interpolation error 
In some spectra there's discrepancy between
the number of points in spectrum (NPT variable),
and real number of points (shape of array)

In this commit we decide that REAL NUMBER is the value we should care about
 2019-09-16 15:02:14 +02:00
t2 dfb068fee1 Fix for wavelengths 
After wavenumbers were computed if conversion to wavelengths was requested None was returned
 2019-09-05 11:07:55 +02:00
t2 df5c567482 python 3 compatibility 
* removing dataclasses
 2019-08-29 00:30:02 +02:00
t2 0afe22aa71 Changing file structure 
* block.data -> block_data
* block.parser -> block_parser
* changing version in setup.py
 2019-08-28 23:45:28 +02:00
t2 18b3714a3e bruker opus reader new algorithm 
* reading all data from spectrum
* reading spectra we were not able to parse in past
* new output data format
* all spectra kinds interpolation
 2019-08-28 10:52:15 +02:00
William Wu d2a22afde7
Merge pull request #6 from thanakijwanavit/patch-1 
Add installation with pip instruction
 2019-07-13 11:12:51 +02:00
thanakijwanavit c56a411470
Add installation with pip instruction 2019-07-13 16:11:47 +07:00
t2 7f8cf1ec8b Minimal version requirements in setup.py and exhaustive listing of pinned versions in requirements.txt. Added matplotlib 2019-02-19 11:16:16 +01:00
t2 b56b8b48a8 Adding dependencies to setup.py 
Change-Id: I2f65563ac4ea61dd2dcada8cd0418e418e1ac6e7
 2018-11-26 10:37:23 +01:00
t2 2d179bdf29 version bump to 1.2 
Change-Id: Id0a6bfa35cfbd05fe23f72a3c5d641dd247e36a6
 2018-11-26 10:10:34 +01:00
t2 2fa7ffe7eb Merge branch 'master' of ssh://gerrit.qed.ai:29418/bruker-opus-reader 
Change-Id: Ib840592986160226a426eefe594c1b271edad15e
 2018-11-13 15:08:32 +01:00
tomkee 999779cb9c
Merge pull request #1 from tommyhlw/patch-1 
Update opus_reader.py
 2018-11-07 17:04:27 +01:00
t2 01a9d76b31 Linting, meta_data initialization, adding TIM and SFM 2018-11-07 16:51:21 +01:00
tommyhlw fa80340330
Update opus_reader.py 
modified get_medadata for more dynamic finding of metadata with find_key
 2018-11-07 15:33:22 +01:00
t2 026b868a09 * Unused functions removed 
* More meaningfull field and function names
* Example extended
* Usage section extended

Change-Id: Ib5f8ab7100f3b8a185c6379536f2ec02efee17b5
 2018-10-31 12:15:00 +01:00
t2 311d29cf4a Removing hyphens 
Change-Id: I40eb4437eb92eed2bafbbe1b8f4da02bfe6aa5f3
 2018-07-12 11:37:51 +02:00
t2 66b64a3f0e Preparing package 
Change-Id: If0b9a8b9e13f72e44896dc9488e073ddb51b9736
 2018-07-11 00:20:47 +02:00
t2 eeb0ae7a58 Better interpolation 
Change-Id: I258a927fdc8912c0533df59ad832ddc739ddf146
 2018-07-10 09:49:48 +02:00
t2 8d4680ccc5 Removing matplotlib dependency 
Change-Id: I6aa93b00c888e4d80b88952df8c202cb0c66f2a2
 2017-11-09 09:43:47 +01:00
Tomasz Dyczek 1731188222 Merge "Moving bruker opus reader to python 3" 2017-10-11 06:53:15 +00:00
William Wu 29e2cbee21 cosmetics 
Change-Id: I661ae0200fa1ccdee849390b76e7f05c0f50545b
 2017-10-10 18:11:21 +02:00
t2 a9bcd34bed Moving bruker opus reader to python 3 
Change-Id: Icb9c708d3f956f79a706cc32a4144085daa43f5b
 2017-10-10 16:52:26 +02:00
t2 aa25d38639 Splitting reading and interpolating into 2 functions 
Change-Id: I02ada28a6a04cc6dd91dae1e560eb72ceb3f8987
 2017-10-10 13:56:46 +00:00
t2 d0f71e336c Extracting spectras with highest average 
Change-Id: I5422623d2e1f1a338e53591f1166056199b6dd50
 2017-08-01 11:27:19 +02:00