Mon Jul 04 16:16:30.448 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:16:30.450 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A5_OS_Plate09_A5\1\pdata\1
Mon Jul 04 16:16:30.458 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:16:30.461 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:16:30.464 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:16:30.493 CEST 2022: No HSQC data available
Mon Jul 04 16:16:30.503 CEST 2022: No C13 data available
Mon Jul 04 16:16:30.515 CEST 2022: No HMBC data available
Mon Jul 04 16:16:30.522 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:16:30.545 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:16:30.625 CEST 2022: Structure is used: true
Mon Jul 04 16:16:30.628 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A5_OS_Plate09_A5/1/A5_OS_Plate9_A5-254d3498-d78d-45bd-8e5f-d3c1f0b47b33.mol
Mon Jul 04 16:16:30.630 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:16:30.641 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:16:30.643 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:16:30.646 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:16:30.649 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:16:30.651 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:16:30.654 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:16:30.656 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:16:30.660 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:16:30.663 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:16:30.666 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:16:30.668 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:16:30.670 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 16:16:30.673 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:16:30.675 CEST 2022: RMSD noise: 31399482.218 (5.315/4.815)
Mon Jul 04 16:16:30.677 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:16:30.681 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:16:30.685 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:16:30.708 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:16:30.787 CEST 2022: Number of Peaks: (54, 10)
Mon Jul 04 16:16:30.812 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:16:30.814 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:16:30.872 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:16:30.875 CEST 2022: Signal-to-Noise ratio: 1904.78 (1.825 ppm)
Mon Jul 04 16:16:30.877 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:16:30.880 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:30.882 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:16:30.897 CEST 2022: Number of Multiplets: 86
Mon Jul 04 16:16:30.899 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:16:30.939 CEST 2022: Number of Peak Cluster: 22
Mon Jul 04 16:16:30.946 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:16:30.968 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:16:31.083 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:16:31.091 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:16:31.095 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:16:31.099 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:16:31.102 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:16:31.105 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:16:31.115 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:16:31.158 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 16:16:31.205 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:16:31.582 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:16:31.585 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:31.588 CEST 2022: CMC-q finished in 1.14 s.
