Tue Jul 05 12:14:15.280 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:14:15.282 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D6_EUOS_Plate10_D6\1\pdata\1
Tue Jul 05 12:14:15.290 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:14:15.295 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:14:15.298 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:14:15.325 CEST 2022: No HSQC data available
Tue Jul 05 12:14:15.338 CEST 2022: No C13 data available
Tue Jul 05 12:14:15.349 CEST 2022: No HMBC data available
Tue Jul 05 12:14:15.355 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:14:15.378 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:14:15.477 CEST 2022: Structure is used: true
Tue Jul 05 12:14:15.480 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D6_EUOS_Plate10_D6/1/D6_EUOS_Plate10_D6-a9b162de-95f0-4ba2-be36-b87916cb9d27.mol
Tue Jul 05 12:14:15.482 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Tue Jul 05 12:14:15.497 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:14:15.500 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Tue Jul 05 12:14:15.503 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:14:15.505 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:14:15.508 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:14:15.510 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:14:15.512 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:14:15.517 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:14:15.519 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:14:15.523 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:14:15.525 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:14:15.528 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 12:14:15.530 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 12:14:15.533 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:14:15.534 CEST 2022: RMSD noise: 18863521.864 (10.107/9.608)
Tue Jul 05 12:14:15.537 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:14:15.540 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:14:15.543 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:14:15.568 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:14:15.674 CEST 2022: Number of Peaks: (94, 10)
Tue Jul 05 12:14:15.698 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Tue Jul 05 12:14:15.701 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:14:15.714 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:14:15.717 CEST 2022: Signal-to-Noise ratio: 800.06 (3.380 ppm)
Tue Jul 05 12:14:15.720 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:14:15.722 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:14:15.725 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Tue Jul 05 12:14:15.755 CEST 2022: Number of Multiplets: 181
Tue Jul 05 12:14:15.758 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:14:15.809 CEST 2022: Number of Peak Cluster: 25
Tue Jul 05 12:14:15.815 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Tue Jul 05 12:14:15.848 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Tue Jul 05 12:14:16.018 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Tue Jul 05 12:14:16.027 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:14:16.032 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:14:16.035 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:14:16.037 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:14:16.044 CEST 2022: Number of consistent PNS: 40
Tue Jul 05 12:14:16.046 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:14:16.053 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:14:16.055 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:14:16.806 CEST 2022: Elapsed time for evaluation (BU Suite): 0.77 s.
Tue Jul 05 12:14:16.858 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:14:16.861 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:14:17.231 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:14:17.234 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:14:17.236 CEST 2022: CMC-q finished in 1.96 s.
