Mon Jul 04 16:25:19.730 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:25:19.732 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E3_OS_Plate012_E3\1\pdata\1
Mon Jul 04 16:25:19.740 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:25:19.744 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:25:19.747 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:25:19.782 CEST 2022: No HSQC data available
Mon Jul 04 16:25:19.795 CEST 2022: No C13 data available
Mon Jul 04 16:25:19.807 CEST 2022: No HMBC data available
Mon Jul 04 16:25:19.815 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:25:19.836 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:25:19.935 CEST 2022: Structure is used: true
Mon Jul 04 16:25:19.952 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E3_OS_Plate012_E3/1/E3_OS_Plate12_E3-ea565037-c862-45ee-918e-22900715bf38.mol
Mon Jul 04 16:25:19.954 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:25:19.965 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:25:19.968 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:25:19.971 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:25:19.973 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:25:19.976 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:25:19.978 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:25:19.980 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:25:19.985 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:25:19.987 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:25:19.991 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:25:19.993 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:25:19.995 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 16:25:19.998 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:25:20.001 CEST 2022: RMSD noise: 29870177.983 (-2.860/-3.359)
Mon Jul 04 16:25:20.003 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:25:20.006 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:25:20.010 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:25:20.034 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:25:20.131 CEST 2022: Number of Peaks: (92, 7)
Mon Jul 04 16:25:20.134 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:25:20.137 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:25:20.184 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:25:20.188 CEST 2022: Signal-to-Noise ratio: 3209.46 (0.743 ppm)
Mon Jul 04 16:25:20.191 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:25:20.193 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:25:20.196 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:25:20.216 CEST 2022: Number of Multiplets: 130
Mon Jul 04 16:25:20.220 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:25:20.276 CEST 2022: Number of Peak Cluster: 33
Mon Jul 04 16:25:20.282 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:25:20.292 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:25:20.460 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:25:20.469 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:25:20.474 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:25:20.478 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:25:20.481 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:25:20.484 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:25:20.493 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:25:20.569 CEST 2022: Elapsed time for evaluation (IN Suite): 0.07 s.
Mon Jul 04 16:25:20.622 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:25:20.990 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:25:20.994 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:25:20.996 CEST 2022: CMC-q finished in 1.27 s.
