Mon Jul 04 16:11:21.828 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:11:21.830 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G4_OS_Plate01_G4\1\pdata\1
Mon Jul 04 16:11:21.838 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:11:21.841 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:11:21.843 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:11:21.887 CEST 2022: No HSQC data available
Mon Jul 04 16:11:21.899 CEST 2022: No C13 data available
Mon Jul 04 16:11:21.910 CEST 2022: No HMBC data available
Mon Jul 04 16:11:21.918 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:11:21.935 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:11:22.079 CEST 2022: Structure is used: true
Mon Jul 04 16:11:22.097 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G4_OS_Plate01_G4/1/G4_OS_Plate1_G4-d8d6b025-2b3b-403e-8b55-35478c3f9c39.mol
Mon Jul 04 16:11:22.099 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 16:11:22.105 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:11:22.108 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:11:22.110 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:11:22.113 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:11:22.115 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:11:22.118 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:11:22.120 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:11:22.125 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:11:22.128 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:11:22.131 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:11:22.133 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:11:22.136 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 16:11:22.138 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:11:22.141 CEST 2022: RMSD noise: 29453298.945 (-2.860/-3.359)
Mon Jul 04 16:11:22.143 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:11:22.146 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:11:22.150 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:11:22.173 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:11:22.258 CEST 2022: Number of Peaks: (73, 15)
Mon Jul 04 16:11:22.261 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:11:22.264 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:11:22.344 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.08 s.
Mon Jul 04 16:11:22.347 CEST 2022: Signal-to-Noise ratio: 12216.72 (1.302 ppm)
Mon Jul 04 16:11:22.350 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:11:22.352 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:22.354 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:11:22.368 CEST 2022: Number of Multiplets: 105
Mon Jul 04 16:11:22.371 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:11:22.415 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:11:22.421 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:11:22.426 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:11:22.553 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:11:22.562 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:11:22.567 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:11:22.570 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:11:22.572 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:11:22.576 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:11:22.578 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:11:22.581 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:11:22.584 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:23.119 CEST 2022: Elapsed time for evaluation (BU Suite): 0.54 s.
Mon Jul 04 16:11:23.167 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:11:23.169 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:11:23.507 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:11:23.529 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:23.531 CEST 2022: CMC-q finished in 1.70 s.
