Tue Jul 05 12:11:10.303 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:11:10.306 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B10_EUOS_Plate07_B10\1\pdata\1
Tue Jul 05 12:11:10.314 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:11:10.317 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:11:10.320 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:11:10.371 CEST 2022: No HSQC data available
Tue Jul 05 12:11:10.386 CEST 2022: No C13 data available
Tue Jul 05 12:11:10.402 CEST 2022: No HMBC data available
Tue Jul 05 12:11:10.410 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:11:10.433 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:11:10.542 CEST 2022: Structure is used: true
Tue Jul 05 12:11:10.544 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B10_EUOS_Plate07_B10/1/B10_EUOS_Plate07_B10-558f89ed-4127-4b63-bb86-b0a8fbc2ef53.mol
Tue Jul 05 12:11:10.547 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Tue Jul 05 12:11:10.573 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:11:10.576 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.03 s.
Tue Jul 05 12:11:10.579 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:11:10.581 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:11:10.583 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:11:10.586 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:11:10.588 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:11:10.593 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:11:10.595 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:11:10.598 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:11:10.600 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:11:10.603 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 12:11:10.605 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 12:11:10.608 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:11:10.610 CEST 2022: RMSD noise: 18706816.067 (10.800/10.300)
Tue Jul 05 12:11:10.612 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:11:10.615 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:11:10.619 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:11:10.643 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:11:10.775 CEST 2022: Number of Peaks: (142, 8)
Tue Jul 05 12:11:10.778 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Tue Jul 05 12:11:10.780 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:11:10.793 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:11:10.796 CEST 2022: Signal-to-Noise ratio: 2134.80 (2.166 ppm)
Tue Jul 05 12:11:10.799 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:11:10.801 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:11:10.804 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Tue Jul 05 12:11:10.854 CEST 2022: Number of Multiplets: 239
Tue Jul 05 12:11:10.881 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.07 s.
Tue Jul 05 12:11:10.973 CEST 2022: Number of Peak Cluster: 42
Tue Jul 05 12:11:10.979 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.10 s.
Tue Jul 05 12:11:10.993 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Tue Jul 05 12:11:11.168 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Tue Jul 05 12:11:11.178 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:11:11.184 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:11:11.189 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:11:11.191 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:11:11.202 CEST 2022: Number of consistent PNS: 50
Tue Jul 05 12:11:11.205 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:11:11.212 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:11:11.215 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:11:12.506 CEST 2022: Elapsed time for evaluation (BU Suite): 1.31 s.
Tue Jul 05 12:11:12.581 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:11:12.584 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:11:12.999 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.49 s.
Tue Jul 05 12:11:13.002 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:11:13.004 CEST 2022: CMC-q finished in 2.70 s.
