Mon Jul 04 16:48:45.434 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:48:45.437 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B9_OS_Plate05_B9\1\pdata\1
Mon Jul 04 16:48:45.445 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:48:45.449 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:48:45.452 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:48:45.484 CEST 2022: No HSQC data available
Mon Jul 04 16:48:45.497 CEST 2022: No C13 data available
Mon Jul 04 16:48:45.510 CEST 2022: No HMBC data available
Mon Jul 04 16:48:45.522 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:48:45.546 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:48:45.666 CEST 2022: Structure is used: true
Mon Jul 04 16:48:45.668 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B9_OS_Plate05_B9/1/9_OS_Plate05_B9.mol
Mon Jul 04 16:48:45.671 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:48:45.684 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:48:45.687 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:48:45.690 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:48:45.692 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:48:45.694 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:48:45.696 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:48:45.699 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:48:45.703 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:48:45.706 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:48:45.709 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:48:45.711 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:48:45.713 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 16:48:45.716 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:48:45.718 CEST 2022: RMSD noise: 28385174.761 (12.668/12.168)
Mon Jul 04 16:48:45.721 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:48:45.724 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:48:45.727 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:48:45.751 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:48:45.864 CEST 2022: Number of Peaks: (103, 19)
Mon Jul 04 16:48:45.883 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:48:45.886 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:48:45.905 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:48:45.908 CEST 2022: Signal-to-Noise ratio: 3281.66 (0.984 ppm)
Mon Jul 04 16:48:45.911 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:48:45.913 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:45.915 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:48:45.948 CEST 2022: Number of Multiplets: 169
Mon Jul 04 16:48:45.951 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:48:46.001 CEST 2022: Number of Peak Cluster: 26
Mon Jul 04 16:48:46.007 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:48:46.014 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:48:46.184 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:48:46.189 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:48:46.193 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:48:46.198 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:48:46.201 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:48:46.203 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:48:46.232 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:48:46.773 CEST 2022: Elapsed time for evaluation (IN Suite): 0.54 s.
Mon Jul 04 16:48:46.822 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:48:47.184 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:48:47.198 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:47.200 CEST 2022: CMC-q finished in 1.77 s.
