Mon Jul 04 19:42:03.463 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:42:03.465 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H11_EUOS_Plate08_H11\1\pdata\1
Mon Jul 04 19:42:03.472 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:42:03.475 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:42:03.479 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:42:03.703 CEST 2022: No HSQC data available
Mon Jul 04 19:42:03.716 CEST 2022: No C13 data available
Mon Jul 04 19:42:03.727 CEST 2022: No HMBC data available
Mon Jul 04 19:42:03.740 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:42:04.344 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.60 s.
Mon Jul 04 19:42:04.431 CEST 2022: Structure is used: true
Mon Jul 04 19:42:04.434 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H11_EUOS_Plate08_H11/1/H11_EUOS_Plate08_H11-15172ab8-cea2-486c-8acb-37c34669a378.mol
Mon Jul 04 19:42:04.437 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 19:42:04.443 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:42:04.445 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:42:04.448 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:42:04.451 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:42:04.453 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:42:04.456 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:42:04.458 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:42:04.463 CEST 2022: Suppression frequencies at: 4.770 
Mon Jul 04 19:42:04.465 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:42:04.468 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:42:04.471 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:42:04.473 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 19:42:04.475 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 19:42:04.478 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:42:04.481 CEST 2022: RMSD noise: 19313900.719 (10.216/9.716)
Mon Jul 04 19:42:04.483 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:42:04.486 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:42:04.490 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:42:04.515 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:42:04.644 CEST 2022: Number of Peaks: (131, 16)
Mon Jul 04 19:42:04.671 CEST 2022: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon Jul 04 19:42:04.674 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:42:04.717 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 19:42:04.720 CEST 2022: Signal-to-Noise ratio: 30559.88 (2.127 ppm)
Mon Jul 04 19:42:04.723 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:42:04.726 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:42:04.729 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Mon Jul 04 19:42:04.766 CEST 2022: Number of Multiplets: 217
Mon Jul 04 19:42:04.769 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 19:42:04.859 CEST 2022: Number of Peak Cluster: 45
Mon Jul 04 19:42:04.866 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon Jul 04 19:42:04.881 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 19:42:05.055 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 19:42:05.065 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 19:42:05.071 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:42:05.075 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 19:42:05.078 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 19:42:05.081 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:42:05.088 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 19:42:05.133 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 19:42:05.187 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:42:05.191 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:42:05.560 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 19:42:05.563 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:42:05.566 CEST 2022: CMC-q finished in 2.10 s.
