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- ---
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- title: SimXRD Database Documentation
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- emoji: 🏃
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- colorTo: blue
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  ---
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  # SimXRD Database
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  ## Introduction
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- The SimXRD database is a comprehensive resource for spectral data analysis, designed to facilitate the identification of crystal materials both in and out of library.
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  ## Version V1.0.0 (May 2024)
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- This version introduces datasets for both In Library (IL) and Out of Library (OL) identification.
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- ``` javascript
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  ### In Library (IL) Identification
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  - **Train Dataset (Part One)**: [ILtrainV1_P1](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P1)
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- - **Train Dataset (Part Two)**: [ILtrainV2_P2](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P2)
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  - **Validation Dataset**: [ILvalV1](https://huggingface.co/datasets/AI4Spectro/ILvalV1)
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  - **Test Dataset**: [ILtestV1](https://huggingface.co/datasets/AI4Spectro/ILtestV1)
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  - **Train Dataset**: [OLtrainV1](https://huggingface.co/datasets/AI4Spectro/OLtrainV1)
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  - **Validation Dataset**: [OLvalV1](https://huggingface.co/datasets/AI4Spectro/OLvalV1)
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  - **Test Dataset**: [OLtestV1](https://huggingface.co/datasets/AI4Spectro/OLtestV1)
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- ```
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- ### Check dataset
 
 
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- ``` javascript
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  pip install ase
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  ase db {name}.db
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- ```
 
 
 
 
 
 
 
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+ Here’s a revised version of the SimXRD Database documentation with improved formatting and clarity:
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  ---
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  # SimXRD Database
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  ## Introduction
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+ The SimXRD database is a comprehensive resource for spectral data analysis, designed to facilitate the identification of crystal materials both **in** and **out of** library.
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  ## Version V1.0.0 (May 2024)
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+ This version introduces datasets for both **In Library (IL)** and **Out of Library (OL)** identification.
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+
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  ### In Library (IL) Identification
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  - **Train Dataset (Part One)**: [ILtrainV1_P1](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P1)
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+ - **Train Dataset (Part Two)**: [ILtrainV1_P2](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P2)
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  - **Validation Dataset**: [ILvalV1](https://huggingface.co/datasets/AI4Spectro/ILvalV1)
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  - **Test Dataset**: [ILtestV1](https://huggingface.co/datasets/AI4Spectro/ILtestV1)
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  - **Train Dataset**: [OLtrainV1](https://huggingface.co/datasets/AI4Spectro/OLtrainV1)
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  - **Validation Dataset**: [OLvalV1](https://huggingface.co/datasets/AI4Spectro/OLvalV1)
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  - **Test Dataset**: [OLtestV1](https://huggingface.co/datasets/AI4Spectro/OLtestV1)
 
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+ ## Check Dataset
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+ To check the dataset, you can use the following command:
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+ ```bash
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  pip install ase
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  ase db {name}.db
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+ ```
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+
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+ ---
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+
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+ ### Notes:
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+ - Ensure you replace `{name}` with the appropriate dataset name when using the `ase db` command.
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+ - If you have any issues or need further assistance, please refer to contact me.