Tue Jul 05 12:12:19.548 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:12:19.551 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D2_EUOS_Plate10_D2\1\pdata\1
Tue Jul 05 12:12:19.558 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:12:19.561 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:12:19.564 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:12:19.616 CEST 2022: No HSQC data available
Tue Jul 05 12:12:19.633 CEST 2022: No C13 data available
Tue Jul 05 12:12:19.651 CEST 2022: No HMBC data available
Tue Jul 05 12:12:19.658 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:12:19.678 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:12:19.821 CEST 2022: Structure is used: true
Tue Jul 05 12:12:19.824 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D2_EUOS_Plate10_D2/1/D2_EUOS_Plate10_D2-6f1e1cd0-1a2b-4994-90ad-f9e0e19d3055.mol
Tue Jul 05 12:12:19.826 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Tue Jul 05 12:12:19.846 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:12:19.849 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Tue Jul 05 12:12:19.852 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:12:19.854 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:12:19.857 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:12:19.859 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:12:19.861 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:12:19.866 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:12:19.868 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:12:19.871 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:12:19.874 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:12:19.876 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 12:12:19.879 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 12:12:19.881 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:12:19.884 CEST 2022: RMSD noise: 18152605.884 (11.493/10.993)
Tue Jul 05 12:12:19.886 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:12:19.889 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:12:19.893 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:12:19.916 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:12:20.017 CEST 2022: Number of Peaks: (86, 8)
Tue Jul 05 12:12:20.020 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Tue Jul 05 12:12:20.023 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:12:20.035 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:12:20.038 CEST 2022: Signal-to-Noise ratio: 67.67 (1.790 ppm)
Tue Jul 05 12:12:20.042 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:12:20.044 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:20.047 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Tue Jul 05 12:12:20.082 CEST 2022: Number of Multiplets: 178
Tue Jul 05 12:12:20.108 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.06 s.
Tue Jul 05 12:12:20.155 CEST 2022: Number of Peak Cluster: 23
Tue Jul 05 12:12:20.161 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Tue Jul 05 12:12:20.198 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Tue Jul 05 12:12:20.341 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Tue Jul 05 12:12:20.351 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:12:20.356 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:12:20.359 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:12:20.361 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:12:20.371 CEST 2022: Number of consistent PNS: 70
Tue Jul 05 12:12:20.374 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:12:20.384 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Tue Jul 05 12:12:20.387 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:21.381 CEST 2022: Elapsed time for evaluation (BU Suite): 1.02 s.
Tue Jul 05 12:12:21.434 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:12:21.436 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:12:21.821 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Tue Jul 05 12:12:21.823 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:21.826 CEST 2022: CMC-q finished in 2.28 s.
