Mon Jul 04 16:13:11.736 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:13:11.738 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D9_OS_Plate01_D9\1\pdata\1
Mon Jul 04 16:13:11.746 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:13:11.749 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:13:11.752 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:13:11.781 CEST 2022: No HSQC data available
Mon Jul 04 16:13:11.792 CEST 2022: No C13 data available
Mon Jul 04 16:13:11.803 CEST 2022: No HMBC data available
Mon Jul 04 16:13:11.827 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 16:13:11.848 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:13:11.930 CEST 2022: Structure is used: true
Mon Jul 04 16:13:11.933 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D9_OS_Plate01_D9/1/D9_OS_Plate1_D9-1e8bfcc3-f263-485c-baba-494cb84a3e3a.mol
Mon Jul 04 16:13:11.936 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:13:11.947 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:13:11.950 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:13:11.953 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:13:11.955 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:13:11.957 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:13:11.959 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:13:11.962 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:13:11.967 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:13:11.969 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:13:11.972 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:13:11.974 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:13:11.976 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 16:13:11.978 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:13:11.981 CEST 2022: RMSD noise: 30759498.758 (11.851/11.352)
Mon Jul 04 16:13:11.983 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:13:11.986 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:13:11.990 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:13:12.014 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:13:12.086 CEST 2022: Number of Peaks: (59, 6)
Mon Jul 04 16:13:12.089 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:13:12.092 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:13:12.150 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:13:12.153 CEST 2022: Signal-to-Noise ratio: 5623.87 (3.725 ppm)
Mon Jul 04 16:13:12.155 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:13:12.158 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:12.160 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:13:12.174 CEST 2022: Number of Multiplets: 103
Mon Jul 04 16:13:12.176 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:13:12.216 CEST 2022: Number of Peak Cluster: 25
Mon Jul 04 16:13:12.222 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:13:12.232 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:13:12.354 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:13:12.387 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:13:12.392 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:13:12.395 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:13:12.398 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:13:12.400 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:13:12.481 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon Jul 04 16:13:12.605 CEST 2022: Elapsed time for evaluation (IN Suite): 0.12 s.
Mon Jul 04 16:13:12.842 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:13:13.186 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.58 s.
Mon Jul 04 16:13:13.189 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:13.192 CEST 2022: CMC-q finished in 1.46 s.
