Mon Jul 04 16:39:45.772 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:39:45.775 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E11_OS_Plate03_E11\1\pdata\1
Mon Jul 04 16:39:45.782 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:39:45.785 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:39:45.788 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:39:45.820 CEST 2022: No HSQC data available
Mon Jul 04 16:39:45.834 CEST 2022: No C13 data available
Mon Jul 04 16:39:45.847 CEST 2022: No HMBC data available
Mon Jul 04 16:39:45.854 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:39:45.875 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:39:45.992 CEST 2022: Structure is used: true
Mon Jul 04 16:39:45.995 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E11_OS_Plate03_E11/1/E11_OS_Plate03_E11-832f9227-c802-4730-b320-b7b50a749096.mol
Mon Jul 04 16:39:45.998 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:39:46.009 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:39:46.012 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:39:46.015 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:39:46.017 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:39:46.020 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:39:46.023 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:39:46.025 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:39:46.029 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:39:46.031 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:39:46.034 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:39:46.037 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:39:46.039 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 16:39:46.041 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:39:46.043 CEST 2022: RMSD noise: 30138921.154 (11.851/11.352)
Mon Jul 04 16:39:46.046 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:39:46.048 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:39:46.052 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:39:46.076 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:39:46.169 CEST 2022: Number of Peaks: (78, 21)
Mon Jul 04 16:39:46.172 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:39:46.174 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:39:46.224 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:39:46.227 CEST 2022: Signal-to-Noise ratio: 442.15 (2.069 ppm)
Mon Jul 04 16:39:46.230 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:39:46.232 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:39:46.234 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:39:46.285 CEST 2022: Number of Multiplets: 228
Mon Jul 04 16:39:46.315 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon Jul 04 16:39:46.354 CEST 2022: Number of Peak Cluster: 11
Mon Jul 04 16:39:46.360 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:39:46.366 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:39:46.498 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:39:46.519 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 16:39:46.523 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:39:46.526 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:39:46.528 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:39:46.531 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:39:46.555 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:39:47.131 CEST 2022: Elapsed time for evaluation (IN Suite): 0.57 s.
Mon Jul 04 16:39:47.182 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:39:47.537 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:39:47.540 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:39:47.543 CEST 2022: CMC-q finished in 1.77 s.
