diff --git a/README.md b/README.md index b31c36b..931c255 100644 --- a/README.md +++ b/README.md @@ -1,18 +1,17 @@ # ramanalysis -This repository contains a Python package called `ramanalysis`, the main purpose of which is to facilitate reading Raman spectroscopy data from a variety of instruments by unifying the way the spectral data is loaded. -This package currently supports loading spectral data from two different Raman spectrometers: +This repository contains a Python package called `ramanalysis`, the main purpose of which is to facilitate reading Raman spectroscopy data from a variety of instruments by unifying the way the spectral data is loaded. This package currently supports loading spectral data from four different Raman spectrometer manufacturers: +- Horiba (tested on the [MacroRAM](https://www.horiba.com/usa/scientific/products/detail/action/show/Product/macroramtm-805/) and [LabRAM HR Evolution](https://www.horiba.com/usa/scientific/products/detail/action/show/Product/labram-hr-evolution-1083/)) - [OpenRAMAN](https://www.open-raman.org/) -- [Horiba MacroRam](https://www.horiba.com/usa/scientific/products/detail/action/show/Product/macroramtm-805/) +- Renishaw (tested on the [inVia Qontor](https://www.renishaw.com/en/invia-confocal-raman-microscope--6260?srsltid=AfmBOopl_QZvOFjalleTRHwKhOeAd4n04PBzR-F76UfXmM1ld-RRMILm)) +- Wasatch (tested on the [WP785X](https://wasatchphotonics.com/product/wp-785x-raman-spectrometer-series/)) -The most useful thing this package does is facilitate the calibration of spectral data output by the OpenRAMAN. The calibration procedure consists of two steps: +This package also facilitates the calibration of spectral data output by the OpenRAMAN. The calibration procedure consists of two steps: 1. A rough calibration based on a broadband excitation light source (e.g. Neon lamp) 2. A fine calibration based on Raman-scattered light from a standard sample (e.g. acetonitrile) -Both calibration steps can be run automatically when spectra of neon and acetonitrile are provided (see [Usage](usage)). - -This automated procedure builds upon the [calibration procedure](https://github.com/Arcadia-Science/2024-open-raman-analysis/blob/calibration/notebooks/0_generate_calibration.ipynb) implemented by [@sunandascript](https://github.com/sunandascript). For more information on the calibration procedure, see this [blog post](https://www.open-raman.org/robust-calibration-method-for-spectrometers/) by the creator of the OpenRAMAN. +Both calibration steps can be run automatically when spectra of neon and acetonitrile are provided (see [Usage](usage)). This automated procedure builds upon the [calibration procedure](https://github.com/Arcadia-Science/2024-open-raman-analysis/blob/calibration/notebooks/0_generate_calibration.ipynb) implemented by [@sunandascript](https://github.com/sunandascript). For more information on the calibration procedure, see this [blog post](https://www.open-raman.org/robust-calibration-method-for-spectrometers/) by the creator of the OpenRAMAN. ## Installation @@ -24,11 +23,9 @@ The package is hosted on PyPI and can be installed using pip: pip install ramanalysis ``` --> -Clone the repository and install via pip: +The package can be installed directly from the GitHub repository via `pip`: ```bash -git clone https://github.com/Arcadia-Science/ramanalysis.git -cd ramanalysis -pip install -e . +pip install git+https://github.com/Arcadia-Science/ramanalysis.git ``` @@ -40,7 +37,7 @@ from pathlib import Path from ramanalysis import RamanSpectrum # Set file paths to the CSV files for your sample and calibration data -example_data_directory = Path("ramanalysis/ramanalysis/tests/example_data/OpenRAMAN/") +example_data_directory = Path("./ramanalysis/tests/example_data/OpenRAMAN/") csv_filepath_sample = next(example_data_directory.glob("*CC-125*.csv")) csv_filepath_excitation_calibration = next(example_data_directory.glob("*neon*.csv")) csv_filepath_emission_calibration = next(example_data_directory.glob("*aceto*.csv"))