--- license: unknown task_categories: - other tags: - mass-spectrometry - proteomics - metabolomics - mscompress size_categories: - n<1K --- # My MSZ Dataset A dataset containing mass spectrometry data in MSZ format. ## Dataset Information - **Format**: MSZ (compressed mass spectrometry) - **Number of files**: 1 - **Granularity**: spectrum-level - **Filter**: All MS levels ## Files - `test.msz` ## Usage This dataset requires the `mscompress` library to load the MSZ files. ### Installation ```bash pip install mscompress ``` ### Loading the Dataset ```python from datasets import load_dataset # Load the dataset dataset = load_dataset("my-msz-dataset") # Access spectra for example in dataset["train"]: mz = example["mz"] intensity = example["intensity"] print(f"Spectrum {example['scan_number']}: {len(mz)} peaks") ``` ### Direct MSZ File Access For more control, you can download and read the MSZ files directly: ```python import mscompress from huggingface_hub import hf_hub_download # Download an MSZ file msz_path = hf_hub_download( repo_id="", filename="data/test.msz", repo_type="dataset" ) # Read with mscompress msz = mscompress.read(msz_path) # Access spectra with random access spectrum = msz.spectra[0] print(f"m/z: {spectrum.mz}") print(f"Intensity: {spectrum.intensity}") ``` ## Dataset Structure ### Spectrum-level Features - `source_file`: Name of the source MSZ file - `spectrum_index`: Index of the spectrum in the file - `scan_number`: Scan number from the instrument - `ms_level`: MS level (1 for MS1, 2 for MS2/MS3, etc.) - `retention_time`: Retention time in seconds - `num_peaks`: Number of m/z-intensity pairs - `mz`: Array of m/z values - `intensity`: Array of intensity values ## Citation If you use this dataset, please cite the mscompress library: ``` @software{mscompress, title = {mscompress: High-performance compression for mass spectrometry data}, url = {https://github.com/chrisagrams/mscompress} } ``` ## License Please check with the dataset creator for license information.