Mon Jul 04 16:27:16.686 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:27:16.689 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A8_OS_Plate012_A8\1\pdata\1
Mon Jul 04 16:27:16.697 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:27:16.701 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:27:16.704 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:27:16.776 CEST 2022: No HSQC data available
Mon Jul 04 16:27:16.789 CEST 2022: No C13 data available
Mon Jul 04 16:27:16.800 CEST 2022: No HMBC data available
Mon Jul 04 16:27:16.808 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:27:16.830 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:27:16.960 CEST 2022: Structure is used: true
Mon Jul 04 16:27:16.978 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A8_OS_Plate012_A8/1/A8_OS_Plate12_A8-a063d2c7-c8f0-4e50-a826-c0555bf66e41.mol
Mon Jul 04 16:27:16.980 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:27:16.992 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:27:16.995 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:27:16.998 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:27:17.000 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:27:17.002 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:27:17.005 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:27:17.007 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:27:17.011 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:27:17.014 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:27:17.017 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:27:17.019 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:27:17.021 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 16:27:17.024 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:27:17.026 CEST 2022: RMSD noise: 32041297.160 (-2.040/-2.539)
Mon Jul 04 16:27:17.029 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:27:17.032 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:27:17.036 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:27:17.060 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:27:17.123 CEST 2022: Number of Peaks: (53, 11)
Mon Jul 04 16:27:17.127 CEST 2022: Elapsed time for evaluation (PP Suite): 0.06 s.
Mon Jul 04 16:27:17.130 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:27:17.213 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.08 s.
Mon Jul 04 16:27:17.217 CEST 2022: Signal-to-Noise ratio: 3384.32 (3.789 ppm)
Mon Jul 04 16:27:17.220 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:27:17.223 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:27:17.225 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:27:17.234 CEST 2022: Number of Multiplets: 61
Mon Jul 04 16:27:17.237 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:27:17.275 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:27:17.281 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:27:17.285 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:27:17.407 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:27:17.411 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:27:17.415 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:27:17.419 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:27:17.421 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:27:17.424 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:27:17.436 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:27:17.494 CEST 2022: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon Jul 04 16:27:17.549 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:27:17.552 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:27:17.897 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:27:17.900 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:27:17.902 CEST 2022: CMC-q finished in 1.22 s.
