Mon Jul 04 16:11:13.887 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:11:13.889 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D4_OS_Plate01_D4\1\pdata\1
Mon Jul 04 16:11:13.896 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:11:13.900 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:11:13.903 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:11:13.941 CEST 2022: No HSQC data available
Mon Jul 04 16:11:13.952 CEST 2022: No C13 data available
Mon Jul 04 16:11:13.962 CEST 2022: No HMBC data available
Mon Jul 04 16:11:13.969 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:11:13.991 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:11:14.068 CEST 2022: Structure is used: true
Mon Jul 04 16:11:14.071 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D4_OS_Plate01_D4/1/D4_OS_Plate1_D4-699562be-162b-4c45-9678-4e1161992867.mol
Mon Jul 04 16:11:14.073 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:11:14.085 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:11:14.087 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:11:14.090 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:11:14.093 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:11:14.095 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:11:14.097 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:11:14.100 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:11:14.104 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:11:14.106 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:11:14.109 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:11:14.112 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:11:14.114 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 16:11:14.117 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:11:14.119 CEST 2022: RMSD noise: 30534594.495 (6.132/5.632)
Mon Jul 04 16:11:14.122 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:11:14.125 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:11:14.129 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:11:14.152 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:11:14.232 CEST 2022: Number of Peaks: (63, 6)
Mon Jul 04 16:11:14.256 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:11:14.258 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:11:14.313 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:11:14.316 CEST 2022: Signal-to-Noise ratio: 5836.59 (2.325 ppm)
Mon Jul 04 16:11:14.319 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:11:14.321 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:14.323 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:11:14.337 CEST 2022: Number of Multiplets: 96
Mon Jul 04 16:11:14.340 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:11:14.385 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:11:14.392 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:11:14.404 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:11:14.531 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:11:14.543 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:11:14.548 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:11:14.551 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:11:14.554 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:11:14.557 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:11:14.561 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:11:14.600 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 16:11:14.650 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:11:15.003 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:11:15.006 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:15.008 CEST 2022: CMC-q finished in 1.12 s.
