Tue Jul 05 12:06:55.156 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:06:55.159 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E1_OS_Plate011_E1\1\pdata\1
Tue Jul 05 12:06:55.166 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:06:55.169 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:06:55.172 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:06:55.265 CEST 2022: No HSQC data available
Tue Jul 05 12:06:55.279 CEST 2022: No C13 data available
Tue Jul 05 12:06:55.294 CEST 2022: No HMBC data available
Tue Jul 05 12:06:55.303 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:06:55.324 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:06:55.438 CEST 2022: Structure is used: true
Tue Jul 05 12:06:55.455 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E1_OS_Plate011_E1/1/B2_EUOS_Remeasure_B2-8b713000-8db9-4807-a11d-6e43ac0d3737.mol
Tue Jul 05 12:06:55.458 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Tue Jul 05 12:06:55.483 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:06:55.486 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.03 s.
Tue Jul 05 12:06:55.489 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:06:55.492 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:06:55.494 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:06:55.497 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:06:55.499 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:06:55.504 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:06:55.507 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:06:55.509 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:06:55.512 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:06:55.515 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 12:06:55.517 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 12:06:55.520 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:06:55.522 CEST 2022: RMSD noise: 18304338.345 (8.722/8.222)
Tue Jul 05 12:06:55.524 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:06:55.527 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:06:55.532 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:06:55.557 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:06:55.678 CEST 2022: Number of Peaks: (116, 11)
Tue Jul 05 12:06:55.681 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Tue Jul 05 12:06:55.684 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:06:55.791 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Tue Jul 05 12:06:55.794 CEST 2022: Signal-to-Noise ratio: 1924.39 (1.068 ppm)
Tue Jul 05 12:06:55.798 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:06:55.801 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:06:55.804 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.34 s.
Tue Jul 05 12:06:55.836 CEST 2022: Number of Multiplets: 184
Tue Jul 05 12:06:55.839 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:06:55.901 CEST 2022: Number of Peak Cluster: 30
Tue Jul 05 12:06:55.909 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Tue Jul 05 12:06:55.923 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Tue Jul 05 12:06:56.118 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.19 s.
Tue Jul 05 12:06:56.130 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:06:56.135 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:06:56.141 CEST 2022: Number of consistent PNS: 6
Tue Jul 05 12:06:56.144 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:06:56.147 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:06:58.677 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 2.53 s.
Tue Jul 05 12:06:58.909 CEST 2022: Elapsed time for evaluation (IN Suite): 0.22 s.
Tue Jul 05 12:06:59.776 CEST 2022: Elapsed time for evaluation (BU Suite): 0.86 s.
Tue Jul 05 12:06:59.826 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:06:59.828 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Tue Jul 05 12:07:00.198 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:07:00.201 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:07:00.204 CEST 2022: CMC-q finished in 5.05 s.
