Mon Jul 04 16:24:04.088 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:24:04.091 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A1_OS_Plate012_A1\1\pdata\1
Mon Jul 04 16:24:04.098 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:24:04.102 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:24:04.104 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:24:04.181 CEST 2022: No HSQC data available
Mon Jul 04 16:24:04.192 CEST 2022: No C13 data available
Mon Jul 04 16:24:04.203 CEST 2022: No HMBC data available
Mon Jul 04 16:24:04.215 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:24:04.236 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:24:04.338 CEST 2022: Structure is used: true
Mon Jul 04 16:24:04.355 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A1_OS_Plate012_A1/1/A1_OS_Plate12_A1-7ee26e34-8c2f-4caf-96a0-8db1d3682cd1.mol
Mon Jul 04 16:24:04.358 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:24:04.841 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:24:04.844 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.48 s.
Mon Jul 04 16:24:04.847 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:24:04.849 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:24:04.852 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:24:04.854 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:24:04.857 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:24:04.861 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:24:04.863 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:24:04.866 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:24:04.869 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:24:04.871 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]
Mon Jul 04 16:24:04.873 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:24:04.877 CEST 2022: RMSD noise: 27847123.988 (12.669/12.169)
Mon Jul 04 16:24:04.879 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:24:04.882 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:24:04.886 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:24:04.910 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:24:04.979 CEST 2022: Number of Peaks: (52, 14)
Mon Jul 04 16:24:04.982 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:24:04.985 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:24:05.011 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:24:05.014 CEST 2022: Signal-to-Noise ratio: 4682.29 (3.743 ppm)
Mon Jul 04 16:24:05.017 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:24:05.019 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:24:05.021 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.66 s.
Mon Jul 04 16:24:05.033 CEST 2022: Number of Multiplets: 90
Mon Jul 04 16:24:05.035 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:24:05.068 CEST 2022: Number of Peak Cluster: 19
Mon Jul 04 16:24:05.074 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:24:05.084 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:24:05.199 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:24:05.203 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:24:05.208 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:24:05.212 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:24:05.214 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:24:05.217 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:24:05.240 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:24:05.362 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon Jul 04 16:24:05.639 CEST 2022: Elapsed time for evaluation (BU Suite): 0.27 s.
Mon Jul 04 16:24:05.689 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:24:05.692 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:24:06.022 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:24:06.025 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:24:06.028 CEST 2022: CMC-q finished in 1.94 s.
