Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A11_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A12_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A13_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A14_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A15_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A16_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A17_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A18_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A19_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A20_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A21_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A22_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A23_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A24_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A2_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A3_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A4_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A5_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A6_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A7_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A8_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_100AGC_pluskal_mce_1D1_A9_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A11_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A12_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A13_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A14_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A15_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A16_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A17_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A18_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A19_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A20_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A21_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A22_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A23_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A24_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A2_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A3_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A4_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A5_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A6_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A7_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A8_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220601_pluskal_mce_1D1_A9_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A11_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A12_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A13_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A14_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A15_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A16_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A17_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A18_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A19_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A20_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A21_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A22_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A23_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A24_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A2_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A3_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A4_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A5_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A6_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A7_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A8_id.mzML Z:\MS_data\Corinna_Brungs\pluskal_mce\mzml_pos\method_comparison\20220613_100AGC_60000Res_pluskal_mce_1D1_A9_id.mzML 3 false true none 5 0.01 Positive 50000.0 0.004 10.0 0.0015 3.0 0.0015 8.0 KEEP 1 0.0 false C:\git\msn_library\data\library\mce_library_all_cleaned.tsv C:\git\msn_library\data\library\mce_library_all_cleaned.tsv C:\git\msn_library\data\iocb_libraries\radim_enamine\ML9687624_10k_cleaned.tsv C:\git\msn_library\data\iocb_libraries\Veverka_group\enamine_molport_combined.tsv C:\git\msn_library\data\nih\nih_library_new_headers_cleaned.tsv as calculated from neutral mass (or formula/smiles) + ions unique_sample_id false Orbitrap none LC-ESI Crude Positive C:\Program Files\mzmine\path C:\Program Files\mzmine\path false false false