Mon Jul 04 16:22:03.688 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:03.691 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B6_OS_Plate011_B6\1\pdata\1
Mon Jul 04 16:22:03.699 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:03.703 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:03.706 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:03.731 CEST 2022: No HSQC data available
Mon Jul 04 16:22:03.743 CEST 2022: No C13 data available
Mon Jul 04 16:22:03.753 CEST 2022: No HMBC data available
Mon Jul 04 16:22:03.762 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:22:03.784 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:03.868 CEST 2022: Structure is used: true
Mon Jul 04 16:22:03.892 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B6_OS_Plate011_B6/1/B6_OS_Plate11_B6-668df503-d5a1-4cc0-a595-4313436112a2.mol
Mon Jul 04 16:22:03.895 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:22:03.906 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:03.909 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:03.912 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:03.914 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:03.917 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:03.919 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:03.922 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:03.927 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:03.930 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:22:03.933 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:03.935 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:03.938 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 16:22:03.940 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:03.943 CEST 2022: RMSD noise: 29257618.706 (-2.860/-3.359)
Mon Jul 04 16:22:03.945 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:03.948 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:03.953 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:03.976 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:04.060 CEST 2022: Number of Peaks: (62, 8)
Mon Jul 04 16:22:04.063 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:22:04.066 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:04.103 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:22:04.106 CEST 2022: Signal-to-Noise ratio: 840.05 (7.786 ppm)
Mon Jul 04 16:22:04.109 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:04.112 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:04.114 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:22:04.128 CEST 2022: Number of Multiplets: 91
Mon Jul 04 16:22:04.131 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:22:04.173 CEST 2022: Number of Peak Cluster: 26
Mon Jul 04 16:22:04.179 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:22:04.189 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:22:04.316 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:22:04.332 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:04.336 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:04.340 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:22:04.343 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:04.345 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:04.353 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:22:04.413 CEST 2022: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon Jul 04 16:22:04.464 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:04.825 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:22:04.828 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:04.831 CEST 2022: CMC-q finished in 1.14 s.
