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FastEI里面的原始质谱库里面的前1000条记录
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创建时间：
2024-06-10
相关数据集
Calculation of Electron Ionization Mass Spectra with Semiempirical GFNn-xTB Methods
In this work, we have tested two different extended tight-binding methods in the framework of the quantum chemistry electron ionization mass spectrometry (QCEIMS) program to calculate electron ionizat
NIAID Data Ecosystem70
Tandem Mass Spectra
There are three sets of tandem mass spectra. The first set is for decoding the text fragment "UNTO A FULL GROWN MAN". The second one is for decoding a QR code. The third one is for decoding a wo
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mzrtsim: Raw Data Simulation for Reproducible Gas/Liquid Chromatography–Mass Spectrometry Based Non-targeted Metabolomics Data Analysis
All the data for 'mzrtsim: Raw Data Simulation for Reproducible Gas/Liquid Chromatography–Mass Spectrometry Based Non-targeted Metabolomics Data Analysis' sim.zip and sim2.zip are stimulated data for
Zenodo2025-05-24 更新20
Simulated_bending_spectras_and_NN_network
This folder is used as a supplementary material for article "Fiber shape sensing using Long Period Fiber Grating and Machine Learning Numerical analysis". It comprises first matlab generated data in t
NIAID Data Ecosystem50
From QCEIMS to QCxMS: A Tool to Routinely Calculate CID Mass Spectra Using Molecular Dynamics
Mass spectrometry (MS) is a powerful tool in chemical research and substance identification. For the computational modeling of electron ionization MS, we have developed the quantum-chemical electron i
NIAID Data Ecosystem30
