Mon Jul 04 16:30:18.147 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:30:18.149 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D3_OS_Plate02_D3\1\pdata\1
Mon Jul 04 16:30:18.158 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:30:18.162 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:30:18.164 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:30:19.221 CEST 2022: No HSQC data available
Mon Jul 04 16:30:19.234 CEST 2022: No C13 data available
Mon Jul 04 16:30:19.246 CEST 2022: No HMBC data available
Mon Jul 04 16:30:19.254 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:30:19.284 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:30:19.389 CEST 2022: Structure is used: true
Mon Jul 04 16:30:19.392 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D3_OS_Plate02_D3/1/D3_OS_Plate02_D3-100e3222-e7f1-4599-87af-ffb956473c9c.mol
Mon Jul 04 16:30:19.395 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:30:19.428 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:30:19.430 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.03 s.
Mon Jul 04 16:30:19.433 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:30:19.436 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:30:19.438 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:30:19.441 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:30:19.443 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:30:19.448 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:30:19.450 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:30:19.453 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:30:19.456 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:30:19.458 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 16:30:19.460 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:30:19.463 CEST 2022: RMSD noise: 30227071.696 (9.400/8.900)
Mon Jul 04 16:30:19.465 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:30:19.468 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:30:19.472 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:30:19.496 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:30:19.592 CEST 2022: Number of Peaks: (78, 31)
Mon Jul 04 16:30:19.618 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:30:19.621 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:30:19.658 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:30:19.661 CEST 2022: Signal-to-Noise ratio: 869.42 (7.194 ppm)
Mon Jul 04 16:30:19.663 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:30:19.666 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:30:19.668 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:30:19.690 CEST 2022: Number of Multiplets: 149
Mon Jul 04 16:30:19.692 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:30:19.741 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:30:19.747 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:30:19.760 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:30:19.886 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:30:19.896 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:30:19.901 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:30:19.905 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:30:19.907 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:30:19.910 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:30:20.039 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.13 s.
Mon Jul 04 16:30:20.279 CEST 2022: Elapsed time for evaluation (IN Suite): 0.24 s.
Mon Jul 04 16:30:20.677 CEST 2022: Elapsed time for evaluation (BU Suite): 0.39 s.
Mon Jul 04 16:30:20.726 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:30:20.728 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:30:21.064 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:30:21.067 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:30:21.069 CEST 2022: CMC-q finished in 2.92 s.
