Mon Jul 04 16:45:00.512 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:45:00.522 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B11_OS_Plate04_B11\1\pdata\1
Mon Jul 04 16:45:00.530 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:45:00.534 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:45:00.536 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:45:00.578 CEST 2022: No HSQC data available
Mon Jul 04 16:45:00.590 CEST 2022: No C13 data available
Mon Jul 04 16:45:00.600 CEST 2022: No HMBC data available
Mon Jul 04 16:45:00.614 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:45:00.641 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:45:00.741 CEST 2022: Structure is used: true
Mon Jul 04 16:45:00.744 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B11_OS_Plate04_B11/1/B11_OS_Plate04_B11-3c0272d5-68ea-4d0e-8d56-4ee5809118ed.mol
Mon Jul 04 16:45:00.747 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:45:00.799 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:45:00.801 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.05 s.
Mon Jul 04 16:45:00.804 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:45:00.807 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:45:00.809 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:45:00.811 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:45:00.814 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:45:00.818 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:45:00.821 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:45:00.823 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:45:00.826 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:45:00.828 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 16:45:00.830 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:45:00.833 CEST 2022: RMSD noise: 30566657.902 (10.217/9.717)
Mon Jul 04 16:45:00.835 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:45:00.838 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:45:00.842 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:45:00.865 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:45:00.960 CEST 2022: Number of Peaks: (78, 5)
Mon Jul 04 16:45:00.980 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:45:00.983 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:45:00.996 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:45:00.999 CEST 2022: Signal-to-Noise ratio: 4149.23 (5.795 ppm)
Mon Jul 04 16:45:01.002 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:45:01.004 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:01.006 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:45:01.030 CEST 2022: Number of Multiplets: 130
Mon Jul 04 16:45:01.033 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:45:01.196 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:45:01.202 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.17 s.
Mon Jul 04 16:45:01.212 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:45:01.344 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:45:01.357 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:45:01.362 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:45:01.366 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:45:01.369 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:01.372 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:45:01.398 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:45:01.434 CEST 2022: Elapsed time for evaluation (IN Suite): 0.03 s.
Mon Jul 04 16:45:01.499 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:45:01.846 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:45:01.849 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:01.852 CEST 2022: CMC-q finished in 1.34 s.
