Mon Jul 04 16:13:44.578 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:13:44.581 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D10_OS_Plate01_D10\1\pdata\1
Mon Jul 04 16:13:44.588 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:13:44.592 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:13:44.595 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:13:44.631 CEST 2022: No HSQC data available
Mon Jul 04 16:13:44.645 CEST 2022: No C13 data available
Mon Jul 04 16:13:44.660 CEST 2022: No HMBC data available
Mon Jul 04 16:13:44.667 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:13:44.687 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:13:44.766 CEST 2022: Structure is used: true
Mon Jul 04 16:13:44.769 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D10_OS_Plate01_D10/1/D10_OS_Plate1_D10-e51fdc6a-f405-4e07-888a-18f4fd359cbe.mol
Mon Jul 04 16:13:44.772 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:13:44.783 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:13:44.786 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:13:44.788 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:13:44.791 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:13:44.793 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:13:44.795 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:13:44.798 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:13:44.802 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:13:44.805 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:13:44.808 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:13:44.810 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:13:44.812 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 16:13:44.814 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:13:44.817 CEST 2022: RMSD noise: 29324047.740 (6.132/5.632)
Mon Jul 04 16:13:44.819 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:13:44.822 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:13:44.825 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:13:44.849 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:13:44.939 CEST 2022: Number of Peaks: (71, 10)
Mon Jul 04 16:13:44.960 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:13:44.962 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:13:45.029 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:13:45.032 CEST 2022: Signal-to-Noise ratio: 4861.35 (3.735 ppm)
Mon Jul 04 16:13:45.035 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:13:45.038 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:45.040 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:13:45.057 CEST 2022: Number of Multiplets: 106
Mon Jul 04 16:13:45.059 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:13:45.109 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:13:45.115 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:13:45.128 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:13:45.255 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:13:45.266 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:13:45.271 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:13:45.275 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:13:45.277 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:13:45.281 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:13:45.283 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:13:45.288 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:13:45.290 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:45.886 CEST 2022: Elapsed time for evaluation (BU Suite): 0.61 s.
Mon Jul 04 16:13:45.934 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:13:45.937 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:13:46.280 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:13:46.283 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:46.285 CEST 2022: CMC-q finished in 1.71 s.
