Tue Jul 05 12:13:11.185 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:13:11.188 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H3_EUOS_Plate10_H3\1\pdata\1
Tue Jul 05 12:13:11.195 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:13:11.199 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:13:11.202 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:13:11.658 CEST 2022: No HSQC data available
Tue Jul 05 12:13:11.673 CEST 2022: No C13 data available
Tue Jul 05 12:13:11.688 CEST 2022: No HMBC data available
Tue Jul 05 12:13:11.695 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:13:11.716 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:13:11.849 CEST 2022: Structure is used: true
Tue Jul 05 12:13:11.865 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H3_EUOS_Plate10_H3/1/H3_EUOS_Plate10_H3-81809d68-7cbd-4abe-87a9-8a90328e9c89.mol
Tue Jul 05 12:13:11.868 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Tue Jul 05 12:13:11.884 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:13:11.887 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Tue Jul 05 12:13:11.890 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:13:11.892 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:13:11.895 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:13:11.897 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:13:11.899 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:13:11.903 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:13:11.905 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:13:11.908 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:13:11.911 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:13:11.913 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 12:13:11.916 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 12:13:11.918 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:13:11.921 CEST 2022: RMSD noise: 18134800.517 (11.493/10.993)
Tue Jul 05 12:13:11.923 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:13:11.926 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:13:11.929 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:13:11.954 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:13:12.071 CEST 2022: Number of Peaks: (120, 11)
Tue Jul 05 12:13:12.074 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Tue Jul 05 12:13:12.076 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:13:12.089 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:13:12.092 CEST 2022: Signal-to-Noise ratio: 5558.59 (1.189 ppm)
Tue Jul 05 12:13:12.095 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:13:12.097 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:13:12.099 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Tue Jul 05 12:13:12.141 CEST 2022: Number of Multiplets: 223
Tue Jul 05 12:13:12.144 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Tue Jul 05 12:13:12.210 CEST 2022: Number of Peak Cluster: 33
Tue Jul 05 12:13:12.216 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Tue Jul 05 12:13:12.265 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Tue Jul 05 12:13:12.443 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.18 s.
Tue Jul 05 12:13:12.463 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Tue Jul 05 12:13:12.468 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:13:12.471 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:13:12.474 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:13:12.485 CEST 2022: Number of consistent PNS: 30
Tue Jul 05 12:13:12.499 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.02 s.
Tue Jul 05 12:13:12.507 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:13:12.510 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:13:13.533 CEST 2022: Elapsed time for evaluation (BU Suite): 1.06 s.
Tue Jul 05 12:13:13.582 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:13:13.585 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:13:13.981 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Tue Jul 05 12:13:13.983 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:13:13.986 CEST 2022: CMC-q finished in 2.80 s.
