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Update README.md with conda forge install instructions and input data format. Add environment.yml to construct comp env based on conda forge.
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59
README.md
59
README.md
@ -17,6 +17,30 @@
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---
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### Input Format
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The ACSM data integration pipeline reads data from an **input directory** and an **instrument folder** specified in the `campaignDescriptor.yaml` file with key-value pairs as follows:
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```yaml
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input_file_directory : NETWORK_MOUNT/Data/JFJ/
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instrument_datafolder: ACSM_TOFWARE/2024/
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```
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Make sure the combined path contains the following structure and files:
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```swift
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NETWORK_MOUNT/Data/JFJ/ACSM_TOFWARE/2024/
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├── ACSM_JFJ_2024_meta.txt
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├── ACSM_JFJ_2024_timeseries.txt
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├── CH0001G.20240101000000...lev1.nas
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├── Org_data_valid.csv
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├── Org_err_valid.csv
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├── Org_mz_valid.csv
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├── Org_time_valid.csv
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└── params/
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├── calibration_params.yaml
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├── limits_of_detection.yaml
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└── validity_thresholds.yaml
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```
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### Output Formats
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- **NAS EBAS-compliant files**, structured and metadata-rich for archive submission
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@ -79,7 +103,7 @@ For Windows users, the following are required:
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2. **Git Bash**: Used to run shell scripts (`.sh` files).
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3. **Conda (Optional)**: Required only if you plan to run the toolkit **outside of Docker**. You can install [Anaconda](https://www.anaconda.com/products/distribution) or [Miniconda](https://docs.conda.io/en/latest/miniconda.html).
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3. **Miniforge (Optional)**: Install [Miniforge](https://conda-forge.org/download/). Required only if you plan to run the toolkit **outside of Docker**.
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4. **PSI Network Access** *(for data retrieval)*: Needed only if accessing live data from a PSI network-mounted drive.
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@ -142,11 +166,40 @@ This toolkit includes a containerized JupyterLab environment for executing the d
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> Required only if you plan to run the toolkit outside of Docker
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If **Git Bash** lacks a suitable Python interpreter, run:
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### Install Python Environment Using Miniforge and conda-forge
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We recommend using Miniforge to manage your conda environments. Miniforge ensures compatibility with packages from the conda-forge channel.
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1. Make sure you have installed **Miniforge**.
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2. Create the Environment from `environment.yml`
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After installing Miniforge, open **Miniforge Prompt** or a terminal with access to conda and run:
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```bash
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bash env_setup.sh
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cd path/to/Gitea/acsmnode
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conda env create --file environment.yml
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```
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3. Activate the Environment
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```bash
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conda activate acsmnode_env
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```
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### Working with Jupyter Notebooks
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We now make the previously installed Python environment `acsmnode_env` selectable as a kernel in Jupyter's interface.
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1. Open an **Miniforge Prompt**, check if the environment exists, and activate it:
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```
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conda env list
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conda activate acsmnode_env
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```
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2. Register the environment in Jupyter:
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```
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python -m ipykernel install --user --name acsmnode_env --display-name "Python (acsmnode_env)"
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```
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3. Start a Jupyter Notebook by running the command:
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```
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jupyter notebook
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```
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and select the `acsmnode_env` environment from the kernel options.
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## (Optional) Run the Dashboard App
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22
environment.yml
Normal file
22
environment.yml
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name: acsmnode_env
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channels:
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- conda-forge
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dependencies:
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- python=3.11
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- jupyter
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- numpy
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- h5py
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- pandas
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- matplotlib
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- plotly=5.24
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- scipy
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- sphinx
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- pip
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- pip:
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# - h5py==3.10
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- pybis==1.35
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- igor2
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- ipykernel
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- dash
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- dash-bootstrap-components
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- graphviz
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