Mon Jul 04 16:15:23.414 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:15:23.416 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H2_OS_Plate09_H2\1\pdata\1
Mon Jul 04 16:15:23.424 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:15:23.427 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:15:23.430 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:15:23.460 CEST 2022: No HSQC data available
Mon Jul 04 16:15:23.470 CEST 2022: No C13 data available
Mon Jul 04 16:15:23.480 CEST 2022: No HMBC data available
Mon Jul 04 16:15:23.491 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:15:23.509 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:15:23.609 CEST 2022: Structure is used: true
Mon Jul 04 16:15:23.612 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H2_OS_Plate09_H2/1/H2_OS_Plate9_H2-620c62f7-268a-4721-b8b8-bd9f2eaf59f4.mol
Mon Jul 04 16:15:23.615 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:15:23.621 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:15:23.624 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:15:23.627 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:15:23.629 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:15:23.631 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:15:23.634 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:15:23.636 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:15:23.641 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:15:23.643 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:15:23.646 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:15:23.648 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:15:23.651 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 16:15:23.653 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:15:23.656 CEST 2022: RMSD noise: 32183959.785 (-2.040/-2.539)
Mon Jul 04 16:15:23.658 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:15:23.661 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:15:23.665 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:15:23.689 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:15:23.779 CEST 2022: Number of Peaks: (73, 11)
Mon Jul 04 16:15:23.804 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:15:23.807 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:15:23.814 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:15:23.817 CEST 2022: Signal-to-Noise ratio: 1226.46 (8.005 ppm)
Mon Jul 04 16:15:23.820 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:15:23.822 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:15:23.824 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:15:23.847 CEST 2022: Number of Multiplets: 152
Mon Jul 04 16:15:23.850 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:15:23.903 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:15:23.909 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:15:23.920 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:15:24.058 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:15:24.073 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:15:24.078 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:15:24.082 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:15:24.084 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:15:24.087 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:15:24.655 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.57 s.
Mon Jul 04 16:15:24.777 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon Jul 04 16:15:24.843 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:15:25.185 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:15:25.189 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:15:25.191 CEST 2022: CMC-q finished in 1.78 s.
