Mon Jul 04 19:35:55.478 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:35:55.480 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B3_EUOS_Plate08_B3\1\pdata\1
Mon Jul 04 19:35:55.488 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:35:55.491 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:35:55.494 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:35:55.506 CEST 2022: No HSQC data available
Mon Jul 04 19:35:55.518 CEST 2022: No C13 data available
Mon Jul 04 19:35:55.530 CEST 2022: No HMBC data available
Mon Jul 04 19:35:55.538 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:35:55.573 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon Jul 04 19:35:55.674 CEST 2022: Structure is used: true
Mon Jul 04 19:35:55.696 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B3_EUOS_Plate08_B3/1/B3_EUOS_Plate08_B3-43537cd0-7799-40e1-b4aa-0187b339a9f2.mol
Mon Jul 04 19:35:55.698 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 19:35:55.705 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:35:55.708 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:35:55.711 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:35:55.713 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:35:55.715 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:35:55.718 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:35:55.720 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:35:55.725 CEST 2022: Suppression frequencies at: 4.769 
Mon Jul 04 19:35:55.727 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:35:55.731 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:35:55.734 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:35:55.737 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.66, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:35:55.740 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.01, protonShiftLimitBPpm=0.01, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:35:55.743 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:35:55.746 CEST 2022: RMSD noise: 17093640.380 (-1.562/-2.062)
Mon Jul 04 19:35:55.748 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:35:55.752 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:35:55.756 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:35:55.781 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:35:55.900 CEST 2022: Number of Peaks: (113, 18)
Mon Jul 04 19:35:55.904 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 19:35:55.907 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:35:55.917 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 19:35:55.920 CEST 2022: Signal-to-Noise ratio: 47540.44 (3.721 ppm)
Mon Jul 04 19:35:55.922 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:35:55.925 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:55.927 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 19:35:55.955 CEST 2022: Number of Multiplets: 171
Mon Jul 04 19:35:55.958 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 19:35:56.039 CEST 2022: Number of Peak Cluster: 39
Mon Jul 04 19:35:56.047 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon Jul 04 19:35:56.058 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 19:35:56.259 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.20 s.
Mon Jul 04 19:35:56.271 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 19:35:56.276 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:35:56.282 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 19:35:56.285 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:35:56.288 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:35:56.306 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 19:35:56.349 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 19:35:56.410 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:35:56.414 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:35:56.781 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 19:35:56.802 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:56.805 CEST 2022: CMC-q finished in 1.33 s.
