| Name | llwp JSON |
| Version |
2.0.7
JSON |
| download |
| home_page | None |
| Summary | LLWP is a fast, efficient and easy solution for exploring and assigning spectra - relying on Loomis-Wood plots. |
| upload_time | 2024-11-18 12:09:39 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.7 |
| license | None |
| keywords |
llwp
loomis-wood plots
spectroscopy
|
| VCS |
|
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
# LLWP - Luis' Loomis-Wood Program
LLWP allows you to efficiently and confidently assign (typically rotational or rovibrational) spectra by relying on Loomis-Wood plots.
A quickstart guide is given down below. For more information see its [website](https://llwp.astro.uni-koeln.de).
If you want to acknowledge LLWP, please cite the paper [LLWP - A new Loomis-Wood software at the example of Acetone-13C1](https://doi.org/10.1016/j.jms.2022.111674).
## Quickstart Guide
The preferred way to install LLWP is via Python's package manager pip.
Run the following command in a terminal to install LLWP:
```bash
pip install llwp
```
After installing LLWP via pip you can run it from any terminal by simply running
```bash
llwp
```
To see and assign your first series
1. open your spectrum and prediction files via drag and drop or *Files > Add Files*
2. specify the correct reference series in the *Reference Series* window
3. choose the fitfunction under *Fit > Choose Fit Function*
4. select the area around the experimental peak with the mouse to fit the data
### ASAP Mode
To start the [ASAP](https://doi.org/10.1016/j.jms.2015.02.014) mode of LLWP run
```bash
lasap
```
To see and assign your first cross-correlation peaks
1. open your spectrum, \*.egy, and \*.cat file via drag and drop or *Files > Add Files*
2. specify the correct energy levels in the *ASAP Settings* window
3. specify the correct unit conversion factor for the \*.cat file in the *Units Cat File* field (e.g. 3.335641e-05 for \*.cat file in MHz and \*.egy file in wavenumbers)
3. press *Calculate Cross Correlation*
3. choose the fitfunction under *Fit > Choose Fit Function*
4. select the area around the experimental peak with the mouse to fit the data
Raw data
{
"_id": null,
"home_page": null,
"name": "llwp",
"maintainer": null,
"docs_url": null,
"requires_python": ">=3.7",
"maintainer_email": null,
"keywords": "LLWP, Loomis-Wood Plots, Spectroscopy",
"author": null,
"author_email": "Luis Bonah <bonah@ph1.uni-koeln.de>",
"download_url": "https://files.pythonhosted.org/packages/27/9f/51ace09c97ffded65139ffea258098d609a2125d8270345ed22157c56e6d/llwp-2.0.7.tar.gz",
"platform": null,
"description": "# LLWP - Luis' Loomis-Wood Program\r\n\r\nLLWP allows you to efficiently and confidently assign (typically rotational or rovibrational) spectra by relying on Loomis-Wood plots.\r\n\r\nA quickstart guide is given down below. For more information see its [website](https://llwp.astro.uni-koeln.de).\r\n\r\nIf you want to acknowledge LLWP, please cite the paper [LLWP - A new Loomis-Wood software at the example of Acetone-13C1](https://doi.org/10.1016/j.jms.2022.111674).\r\n\r\n\r\n## Quickstart Guide\r\n\r\nThe preferred way to install LLWP is via Python's package manager pip.\r\nRun the following command in a terminal to install LLWP:\r\n\r\n```bash\r\npip install llwp\r\n```\r\n\r\nAfter installing LLWP via pip you can run it from any terminal by simply running\r\n\r\n```bash\r\nllwp\r\n```\r\n\r\nTo see and assign your first series\r\n\r\n1. open your spectrum and prediction files via drag and drop or *Files > Add Files*\r\n2. specify the correct reference series in the *Reference Series* window\r\n3. choose the fitfunction under *Fit > Choose Fit Function*\r\n4. select the area around the experimental peak with the mouse to fit the data\r\n\r\n### ASAP Mode\r\n\r\nTo start the [ASAP](https://doi.org/10.1016/j.jms.2015.02.014) mode of LLWP run\r\n\r\n```bash\r\nlasap\r\n```\r\n\r\nTo see and assign your first cross-correlation peaks\r\n\r\n1. open your spectrum, \\*.egy, and \\*.cat file via drag and drop or *Files > Add Files*\r\n2. specify the correct energy levels in the *ASAP Settings* window\r\n3. specify the correct unit conversion factor for the \\*.cat file in the *Units Cat File* field (e.g. 3.335641e-05 for \\*.cat file in MHz and \\*.egy file in wavenumbers)\r\n3. press *Calculate Cross Correlation*\r\n3. choose the fitfunction under *Fit > Choose Fit Function*\r\n4. select the area around the experimental peak with the mouse to fit the data\r\n",
"bugtrack_url": null,
"license": null,
"summary": "LLWP is a fast, efficient and easy solution for exploring and assigning spectra - relying on Loomis-Wood plots.",
"version": "2.0.7",
"project_urls": {
"Homepage": "https://llwp.astro.uni-koeln.de/"
},
"split_keywords": [
"llwp",
" loomis-wood plots",
" spectroscopy"
],
"urls": [
{
"comment_text": "",
"digests": {
"blake2b_256": "3591ff97aa79cc43395d8e34f30ffd6354e7a3f10fc91c7705ae233a2b6968f2",
"md5": "c14c6d2452a76a2ca1ac6322e4da82aa",
"sha256": "3f4dd91cc451500ada5df4a06960a313e9c9d73ec83cbe8379a16b3c410d8012"
},
"downloads": -1,
"filename": "llwp-2.0.7-py3-none-any.whl",
"has_sig": false,
"md5_digest": "c14c6d2452a76a2ca1ac6322e4da82aa",
"packagetype": "bdist_wheel",
"python_version": "py3",
"requires_python": ">=3.7",
"size": 72177,
"upload_time": "2024-11-18T12:09:37",
"upload_time_iso_8601": "2024-11-18T12:09:37.820671Z",
"url": "https://files.pythonhosted.org/packages/35/91/ff97aa79cc43395d8e34f30ffd6354e7a3f10fc91c7705ae233a2b6968f2/llwp-2.0.7-py3-none-any.whl",
"yanked": false,
"yanked_reason": null
},
{
"comment_text": "",
"digests": {
"blake2b_256": "279f51ace09c97ffded65139ffea258098d609a2125d8270345ed22157c56e6d",
"md5": "470b1adbdef5a32717e14150272254b4",
"sha256": "81448bc60e8e9bcecb8d8d33731a4de5531d9977d303b1a0b3b977f797737698"
},
"downloads": -1,
"filename": "llwp-2.0.7.tar.gz",
"has_sig": false,
"md5_digest": "470b1adbdef5a32717e14150272254b4",
"packagetype": "sdist",
"python_version": "source",
"requires_python": ">=3.7",
"size": 72303,
"upload_time": "2024-11-18T12:09:39",
"upload_time_iso_8601": "2024-11-18T12:09:39.592698Z",
"url": "https://files.pythonhosted.org/packages/27/9f/51ace09c97ffded65139ffea258098d609a2125d8270345ed22157c56e6d/llwp-2.0.7.tar.gz",
"yanked": false,
"yanked_reason": null
}
],
"upload_time": "2024-11-18 12:09:39",
"github": false,
"gitlab": false,
"bitbucket": false,
"codeberg": false,
"lcname": "llwp"
}
