Tue Jul 05 12:12:00.428 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:12:00.431 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H1_EUOS_Plate10_H1\1\pdata\1
Tue Jul 05 12:12:00.438 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:12:00.442 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:12:00.445 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:12:00.516 CEST 2022: No HSQC data available
Tue Jul 05 12:12:00.529 CEST 2022: No C13 data available
Tue Jul 05 12:12:00.542 CEST 2022: No HMBC data available
Tue Jul 05 12:12:00.561 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Tue Jul 05 12:12:00.584 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:12:00.719 CEST 2022: Structure is used: true
Tue Jul 05 12:12:00.723 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H1_EUOS_Plate10_H1/1/H1_EUOS_Plate10_H1-fbee01bf-9619-45c8-bc9c-b5bf831f681f.mol
Tue Jul 05 12:12:00.725 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Tue Jul 05 12:12:00.752 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:12:00.755 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.03 s.
Tue Jul 05 12:12:00.758 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:12:00.761 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:12:00.763 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:12:00.766 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:12:00.768 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:12:00.772 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:12:00.775 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:12:00.779 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:12:00.782 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:12:00.784 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 12:12:00.787 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 12:12:00.790 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:12:00.792 CEST 2022: RMSD noise: 19250605.931 (10.107/9.608)
Tue Jul 05 12:12:00.795 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:12:00.799 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:12:00.803 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:12:00.827 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:12:00.943 CEST 2022: Number of Peaks: (110, 17)
Tue Jul 05 12:12:00.946 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Tue Jul 05 12:12:00.948 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:12:00.974 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Tue Jul 05 12:12:00.981 CEST 2022: Signal-to-Noise ratio: 2499.72 (1.112 ppm)
Tue Jul 05 12:12:01.010 CEST 2022: Elapsed time for evaluation (SND Suite): 0.03 s.
Tue Jul 05 12:12:01.013 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:01.016 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Tue Jul 05 12:12:01.051 CEST 2022: Number of Multiplets: 202
Tue Jul 05 12:12:01.055 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Tue Jul 05 12:12:01.116 CEST 2022: Number of Peak Cluster: 30
Tue Jul 05 12:12:01.123 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Tue Jul 05 12:12:01.150 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Tue Jul 05 12:12:01.324 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Tue Jul 05 12:12:01.340 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:12:01.346 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:12:01.350 CEST 2022: Number of consistent PNS: 1
Tue Jul 05 12:12:01.352 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:12:01.356 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:12:01.402 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Tue Jul 05 12:12:01.542 CEST 2022: Elapsed time for evaluation (IN Suite): 0.14 s.
Tue Jul 05 12:12:01.594 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:12:01.597 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:12:01.976 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Tue Jul 05 12:12:01.979 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:01.981 CEST 2022: CMC-q finished in 1.55 s.
