Mon Jul 04 16:46:31.303 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:46:31.306 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A4_OS_Plate05_A4\1\pdata\1
Mon Jul 04 16:46:31.313 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:46:31.317 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:46:31.320 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:46:31.350 CEST 2022: No HSQC data available
Mon Jul 04 16:46:31.362 CEST 2022: No C13 data available
Mon Jul 04 16:46:31.375 CEST 2022: No HMBC data available
Mon Jul 04 16:46:31.386 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:46:31.407 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:46:31.534 CEST 2022: Structure is used: true
Mon Jul 04 16:46:31.553 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A4_OS_Plate05_A4/1/4_OS_Plate05_A4.mol
Mon Jul 04 16:46:31.555 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:46:31.567 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:46:31.569 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:46:31.573 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:46:31.576 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:46:31.578 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:46:31.580 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:46:31.583 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:46:31.588 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:46:31.590 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:46:31.594 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:46:31.596 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:46:31.599 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 16:46:31.601 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:46:31.603 CEST 2022: RMSD noise: 30451953.240 (5.314/4.814)
Mon Jul 04 16:46:31.606 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:46:31.609 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:46:31.613 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:46:31.637 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:46:31.743 CEST 2022: Number of Peaks: (103, 8)
Mon Jul 04 16:46:31.746 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:46:31.749 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:46:31.762 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:46:31.764 CEST 2022: Signal-to-Noise ratio: 2795.64 (1.082 ppm)
Mon Jul 04 16:46:31.767 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:46:31.770 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:31.772 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:46:31.795 CEST 2022: Number of Multiplets: 145
Mon Jul 04 16:46:31.797 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:46:31.858 CEST 2022: Number of Peak Cluster: 37
Mon Jul 04 16:46:31.864 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:46:31.873 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:46:32.045 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:46:32.065 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:46:32.070 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:46:32.075 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:46:32.077 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:46:32.080 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:46:32.172 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.09 s.
Mon Jul 04 16:46:32.576 CEST 2022: Elapsed time for evaluation (IN Suite): 0.40 s.
Mon Jul 04 16:46:32.675 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:46:33.039 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.46 s.
Mon Jul 04 16:46:33.048 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:33.051 CEST 2022: CMC-q finished in 1.75 s.
