Mon Jul 04 19:39:42.434 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:39:42.437 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A9_EUOS_Plate08_A9\1\pdata\1
Mon Jul 04 19:39:42.445 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:39:42.449 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:39:42.452 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:39:42.511 CEST 2022: No HSQC data available
Mon Jul 04 19:39:42.524 CEST 2022: No C13 data available
Mon Jul 04 19:39:42.537 CEST 2022: No HMBC data available
Mon Jul 04 19:39:42.545 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:39:42.577 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon Jul 04 19:39:42.683 CEST 2022: Structure is used: true
Mon Jul 04 19:39:42.686 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A9_EUOS_Plate08_A9/1/A9_EUOS_Plate08_A9-723e14c6-1377-4a0b-93c8-5b2be0fa898b.mol
Mon Jul 04 19:39:42.690 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 19:39:42.697 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:39:42.700 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:39:42.703 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:39:42.705 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:39:42.708 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:39:42.710 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:39:42.713 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:39:42.718 CEST 2022: Suppression frequencies at: 4.769 
Mon Jul 04 19:39:42.721 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 19:39:42.724 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:39:42.726 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:39:42.729 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 19:39:42.730 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 19:39:42.733 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:39:42.735 CEST 2022: RMSD noise: 18564710.689 (9.523/9.023)
Mon Jul 04 19:39:42.738 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:39:42.741 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:39:42.745 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:39:42.771 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:39:42.958 CEST 2022: Number of Peaks: (168, 26)
Mon Jul 04 19:39:42.961 CEST 2022: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon Jul 04 19:39:42.964 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:39:42.983 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 19:39:42.987 CEST 2022: Signal-to-Noise ratio: 103868.09 (1.211 ppm)
Mon Jul 04 19:39:42.990 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:39:42.992 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:39:42.995 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.30 s.
Mon Jul 04 19:39:43.080 CEST 2022: Number of Multiplets: 292
Mon Jul 04 19:39:43.101 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.10 s.
Mon Jul 04 19:39:43.194 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 19:39:43.201 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon Jul 04 19:39:43.214 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 19:39:43.502 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon Jul 04 19:39:43.516 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 19:39:43.521 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:39:43.527 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 19:39:43.530 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:39:43.533 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:39:43.548 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 19:39:44.077 CEST 2022: Elapsed time for evaluation (IN Suite): 0.52 s.
Mon Jul 04 19:39:44.136 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:39:44.139 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:39:44.501 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 19:39:44.504 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:39:44.507 CEST 2022: CMC-q finished in 2.07 s.
