Mon Jul 04 19:35:50.359 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:35:50.362 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H2_EUOS_Plate08_H2\1\pdata\1
Mon Jul 04 19:35:50.369 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:35:50.373 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:35:50.377 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:35:50.392 CEST 2022: No HSQC data available
Mon Jul 04 19:35:50.406 CEST 2022: No C13 data available
Mon Jul 04 19:35:50.420 CEST 2022: No HMBC data available
Mon Jul 04 19:35:50.427 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:35:50.780 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.35 s.
Mon Jul 04 19:35:50.892 CEST 2022: Structure is used: true
Mon Jul 04 19:35:50.909 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H2_EUOS_Plate08_H2/1/H2_EUOS_Plate08_H2-9df6b9a2-22f9-4589-84f5-b1ad5f1cb729.mol
Mon Jul 04 19:35:50.911 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 19:35:50.918 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:35:50.920 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:35:50.923 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:35:50.925 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:35:50.928 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:35:50.930 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:35:50.932 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:35:50.937 CEST 2022: Suppression frequencies at: 4.769 
Mon Jul 04 19:35:50.940 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:35:50.944 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:35:50.946 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:35:50.948 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.66, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:35:50.951 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.01, protonShiftLimitBPpm=0.01, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:35:50.953 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:35:50.956 CEST 2022: RMSD noise: 18917032.101 (-1.563/-2.063)
Mon Jul 04 19:35:50.958 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:35:50.961 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:35:50.965 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:35:50.989 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:35:51.257 CEST 2022: Number of Peaks: (294, 44)
Mon Jul 04 19:35:51.261 CEST 2022: Elapsed time for evaluation (PP Suite): 0.27 s.
Mon Jul 04 19:35:51.263 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:35:51.307 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 19:35:51.310 CEST 2022: Signal-to-Noise ratio: 12314.15 (3.289 ppm)
Mon Jul 04 19:35:51.313 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:35:51.316 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:51.318 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.40 s.
Mon Jul 04 19:35:51.502 CEST 2022: Number of Multiplets: 493
Mon Jul 04 19:35:51.515 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.19 s.
Mon Jul 04 19:35:51.701 CEST 2022: Number of Peak Cluster: 56
Mon Jul 04 19:35:51.709 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.19 s.
Mon Jul 04 19:35:51.744 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon Jul 04 19:35:52.113 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Mon Jul 04 19:35:52.149 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon Jul 04 19:35:52.159 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:35:52.167 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 19:35:52.170 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:35:52.173 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:35:52.192 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 19:35:52.348 CEST 2022: Elapsed time for evaluation (IN Suite): 0.15 s.
Mon Jul 04 19:35:52.412 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:35:52.415 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:35:52.825 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.47 s.
Mon Jul 04 19:35:52.828 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:52.830 CEST 2022: CMC-q finished in 2.47 s.
