Tue Jul 05 12:12:44.530 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:12:44.533 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B3_EUOS_Plate10_B3\1\pdata\1
Tue Jul 05 12:12:44.540 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:12:44.543 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:12:44.546 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:12:44.574 CEST 2022: No HSQC data available
Tue Jul 05 12:12:44.585 CEST 2022: No C13 data available
Tue Jul 05 12:12:44.595 CEST 2022: No HMBC data available
Tue Jul 05 12:12:44.603 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:12:44.629 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:12:44.715 CEST 2022: Structure is used: true
Tue Jul 05 12:12:44.718 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B3_EUOS_Plate10_B3/1/B3_EUOS_Plate10_B3-1d27ca41-1283-41db-9c67-2f3121d1d514.mol
Tue Jul 05 12:12:44.720 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Tue Jul 05 12:12:44.731 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:12:44.733 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:12:44.736 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:12:44.738 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:12:44.740 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:12:44.743 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:12:44.746 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:12:44.750 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:12:44.753 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:12:44.756 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:12:44.758 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:12:44.760 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 12:12:44.762 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 12:12:44.766 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:12:44.768 CEST 2022: RMSD noise: 18092760.160 (11.493/10.993)
Tue Jul 05 12:12:44.771 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:12:44.774 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:12:44.778 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:12:44.802 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:12:44.897 CEST 2022: Number of Peaks: (79, 3)
Tue Jul 05 12:12:44.900 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Tue Jul 05 12:12:44.902 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:12:44.934 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Tue Jul 05 12:12:44.937 CEST 2022: Signal-to-Noise ratio: 5403.06 (1.930 ppm)
Tue Jul 05 12:12:44.940 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:12:44.942 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:44.945 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Tue Jul 05 12:12:44.967 CEST 2022: Number of Multiplets: 125
Tue Jul 05 12:12:44.970 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Tue Jul 05 12:12:45.018 CEST 2022: Number of Peak Cluster: 28
Tue Jul 05 12:12:45.025 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Tue Jul 05 12:12:45.043 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Tue Jul 05 12:12:45.185 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Tue Jul 05 12:12:45.192 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Tue Jul 05 12:12:45.196 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:12:45.200 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:12:45.202 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:12:45.210 CEST 2022: Number of consistent PNS: 15
Tue Jul 05 12:12:45.236 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.03 s.
Tue Jul 05 12:12:45.240 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:12:45.242 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:46.118 CEST 2022: Elapsed time for evaluation (BU Suite): 0.91 s.
Tue Jul 05 12:12:46.167 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:12:46.169 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:12:46.537 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:12:46.540 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:46.542 CEST 2022: CMC-q finished in 2.01 s.
