Tue Jul 05 12:15:37.878 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:15:37.881 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A9_EUOS_Plate10_A9\1\pdata\1
Tue Jul 05 12:15:37.888 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:15:37.891 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:15:37.894 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:15:38.465 CEST 2022: No HSQC data available
Tue Jul 05 12:15:38.477 CEST 2022: No C13 data available
Tue Jul 05 12:15:38.489 CEST 2022: No HMBC data available
Tue Jul 05 12:15:38.531 CEST 2022: Elapsed time for evaluation (XD Suite): 0.04 s.
Tue Jul 05 12:15:38.567 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.03 s.
Tue Jul 05 12:15:38.885 CEST 2022: Structure is used: true
Tue Jul 05 12:15:38.888 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A9_EUOS_Plate10_A9/1/A9_EUOS_Plate10_A9-ded7871e-2ab7-4322-8c55-747de960a8dd.mol
Tue Jul 05 12:15:38.891 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.32 s.
Tue Jul 05 12:15:38.904 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:15:38.906 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:15:38.909 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:15:38.911 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:15:38.913 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:15:38.916 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:15:38.918 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:15:38.923 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:15:38.925 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:15:38.928 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:15:38.931 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:15:38.933 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:15:38.936 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:15:38.938 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:15:38.940 CEST 2022: RMSD noise: 18020149.487 (-1.670/-2.170)
Tue Jul 05 12:15:38.942 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:15:38.945 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:15:38.948 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:15:38.972 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:15:39.093 CEST 2022: Number of Peaks: (97, 14)
Tue Jul 05 12:15:39.095 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Tue Jul 05 12:15:39.097 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:15:39.145 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Tue Jul 05 12:15:39.148 CEST 2022: Signal-to-Noise ratio: 894.00 (6.670 ppm)
Tue Jul 05 12:15:39.151 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:15:39.153 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:15:39.156 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Tue Jul 05 12:15:39.196 CEST 2022: Number of Multiplets: 187
Tue Jul 05 12:15:39.199 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Tue Jul 05 12:15:39.251 CEST 2022: Number of Peak Cluster: 23
Tue Jul 05 12:15:39.257 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Tue Jul 05 12:15:39.270 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Tue Jul 05 12:15:39.450 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.18 s.
Tue Jul 05 12:15:39.489 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:15:39.493 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:15:39.496 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:15:39.499 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:15:39.504 CEST 2022: Number of consistent PNS: 30
Tue Jul 05 12:15:39.507 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:15:39.516 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Tue Jul 05 12:15:39.519 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:15:40.774 CEST 2022: Elapsed time for evaluation (BU Suite): 1.27 s.
Tue Jul 05 12:15:40.822 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:15:40.824 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:15:41.182 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Tue Jul 05 12:15:41.185 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:15:41.187 CEST 2022: CMC-q finished in 3.31 s.
