Mon Jul 04 16:31:34.121 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:34.124 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B6_OS_Plate02_B6\1\pdata\1
Mon Jul 04 16:31:34.131 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:34.134 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:34.137 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:34.354 CEST 2022: No HSQC data available
Mon Jul 04 16:31:34.366 CEST 2022: No C13 data available
Mon Jul 04 16:31:34.378 CEST 2022: No HMBC data available
Mon Jul 04 16:31:34.387 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:31:34.477 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.09 s.
Mon Jul 04 16:31:34.585 CEST 2022: Structure is used: true
Mon Jul 04 16:31:34.615 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B6_OS_Plate02_B6/1/B6_OS_Plate02_B6-6947027c-5c22-44fb-9c7c-6ba7522fe9c9.mol
Mon Jul 04 16:31:34.617 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:31:34.627 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:34.630 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:31:34.633 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:34.636 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:34.638 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:34.640 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:34.642 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:34.647 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:34.650 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:31:34.653 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:34.655 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:34.657 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 16:31:34.660 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:34.662 CEST 2022: RMSD noise: 28071982.805 (-2.860/-3.359)
Mon Jul 04 16:31:34.664 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:34.667 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:34.671 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:34.696 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:34.790 CEST 2022: Number of Peaks: (84, 19)
Mon Jul 04 16:31:34.794 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:31:34.796 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:34.865 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:31:34.869 CEST 2022: Signal-to-Noise ratio: 7362.64 (3.713 ppm)
Mon Jul 04 16:31:34.872 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:34.875 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:34.878 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:31:34.897 CEST 2022: Number of Multiplets: 135
Mon Jul 04 16:31:34.900 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:31:35.111 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:31:35.118 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.21 s.
Mon Jul 04 16:31:35.142 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:31:35.280 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:31:35.287 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:31:35.292 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:35.296 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:31:35.299 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:35.302 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:35.423 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon Jul 04 16:31:35.595 CEST 2022: Elapsed time for evaluation (IN Suite): 0.17 s.
Mon Jul 04 16:31:35.649 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:31:36.260 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.66 s.
Mon Jul 04 16:31:36.283 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:36.285 CEST 2022: CMC-q finished in 2.16 s.
