Mon Jul 04 19:36:21.831 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:36:21.834 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H3_EUOS_Plate08_H3\1\pdata\1
Mon Jul 04 19:36:21.841 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:36:21.845 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:36:21.848 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:36:22.164 CEST 2022: No HSQC data available
Mon Jul 04 19:36:22.176 CEST 2022: No C13 data available
Mon Jul 04 19:36:22.188 CEST 2022: No HMBC data available
Mon Jul 04 19:36:22.196 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:36:22.264 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon Jul 04 19:36:22.361 CEST 2022: Structure is used: true
Mon Jul 04 19:36:22.378 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H3_EUOS_Plate08_H3/1/H3_EUOS_Plate08_H3-8678b275-2ff3-4a51-9406-6bda4694e9c6.mol
Mon Jul 04 19:36:22.381 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 19:36:22.388 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:36:22.391 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:36:22.395 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:36:22.397 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:36:22.400 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:36:22.402 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:36:22.405 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:36:22.410 CEST 2022: Suppression frequencies at: 4.770 
Mon Jul 04 19:36:22.413 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 19:36:22.416 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:36:22.419 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:36:22.421 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 19:36:22.423 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 19:36:22.426 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:36:22.428 CEST 2022: RMSD noise: 18693505.070 (9.523/9.023)
Mon Jul 04 19:36:22.431 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:36:22.434 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:36:22.438 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:36:22.463 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:36:22.571 CEST 2022: Number of Peaks: (105, 16)
Mon Jul 04 19:36:22.574 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 19:36:22.577 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:36:22.669 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.09 s.
Mon Jul 04 19:36:22.673 CEST 2022: Signal-to-Noise ratio: 6583.10 (7.596 ppm)
Mon Jul 04 19:36:22.676 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:36:22.678 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:36:22.680 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.30 s.
Mon Jul 04 19:36:22.703 CEST 2022: Number of Multiplets: 138
Mon Jul 04 19:36:22.706 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 19:36:22.777 CEST 2022: Number of Peak Cluster: 39
Mon Jul 04 19:36:22.784 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 19:36:22.801 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 19:36:22.953 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 19:36:22.959 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 19:36:22.965 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:36:22.971 CEST 2022: Number of consistent PNS: 6
Mon Jul 04 19:36:22.974 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:36:22.978 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:36:23.027 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 19:36:23.335 CEST 2022: Elapsed time for evaluation (IN Suite): 0.30 s.
Mon Jul 04 19:36:23.394 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:36:23.398 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:36:23.814 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.47 s.
Mon Jul 04 19:36:23.817 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:36:23.819 CEST 2022: CMC-q finished in 1.99 s.
