SE126:/DS1

Sample Set Information

ID	SE126
Title	Test dataset for MS-DIAL 2.0 and MS-FINDER 2.0
Description	Three validation kits are prepared for the evaluation of MS-DIAL 2.0 and MS-FINDER 2.0. (1) The validation of MS-DIAL chromatogram deconvolution for GC/MS data was performed by six raw data files from five major MS vendors. (2) Software comparison of MS-DIAL against other alternative programs was performed by four raw data files. (3) Software comparison of MS-FINDER against other alternative programs was performed by five EI-MS spectra. The raw files except for Bruker Daltonics and Thermo Fisher Scientific (because of their contracts) can be downloaded.
Authors	Zijuan Lai, Hiroshi Tsugawa, Gert Wohlgemuth, Matthew Mueller, Yuxuan Zheng, Atsushi Ogiwara, Sajjan Mehta, John Meissen, Kohei Takeuchi, Tobias Kind, Peter Beal, Masanori Arita, Oliver Fiehn
Reference	Lai et al. (2018) Nature Methods Jan;15(1):53-56. doi: 10.1038/nmeth.4512
Comment

PubMed

The raw data files are available at DROP Met web site in PRIMe database of RIKEN.

Data Analysis Details Information

ID	DS1
Title	Datasets upload
Description	1. Dataset for the validation of MS-DIAL chromatogram deconvolution 2. Dataset for software comparison (for MS-DIAL 2.0) 3. Dataset for software comparison (for MS-FINDER 2.0)
Comment_of_details

The raw data files are available at DROP Met web site in PRIMe database of RIKEN.