Mon Jul 04 16:19:31.330 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:19:31.332 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H11_OS_Plate09_H11\1\pdata\1
Mon Jul 04 16:19:31.340 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:19:31.343 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:19:31.346 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:19:31.794 CEST 2022: No HSQC data available
Mon Jul 04 16:19:31.806 CEST 2022: No C13 data available
Mon Jul 04 16:19:31.817 CEST 2022: No HMBC data available
Mon Jul 04 16:19:31.825 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:19:31.842 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:19:31.971 CEST 2022: Structure is used: true
Mon Jul 04 16:19:31.987 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H11_OS_Plate09_H11/1/H11_OS_Plate9_H11-369faeda-0ea2-419d-b726-1a07354fd9f1.mol
Mon Jul 04 16:19:31.990 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:19:31.996 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:19:31.998 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:19:32.001 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:19:32.003 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:19:32.006 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:19:32.008 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:19:32.011 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:19:32.015 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:19:32.017 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:19:32.020 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:19:32.023 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:19:32.025 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 16:19:32.027 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:19:32.029 CEST 2022: RMSD noise: 30620245.124 (11.851/11.352)
Mon Jul 04 16:19:32.032 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:19:32.034 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:19:32.038 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:19:32.062 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:19:32.158 CEST 2022: Number of Peaks: (86, 12)
Mon Jul 04 16:19:32.161 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:19:32.164 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:19:32.172 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:19:32.175 CEST 2022: Signal-to-Noise ratio: 399.79 (1.137 ppm)
Mon Jul 04 16:19:32.178 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:19:32.180 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:19:32.182 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.19 s.
Mon Jul 04 16:19:32.206 CEST 2022: Number of Multiplets: 141
Mon Jul 04 16:19:32.208 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:19:32.262 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:19:32.267 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:19:32.280 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:19:32.426 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:19:32.441 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:19:32.446 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:19:32.449 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:19:32.452 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:19:32.455 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:19:32.526 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon Jul 04 16:19:32.587 CEST 2022: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon Jul 04 16:19:33.310 CEST 2022: Elapsed time for evaluation (BU Suite): 0.72 s.
Mon Jul 04 16:19:33.358 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:19:33.361 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:19:33.714 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:19:33.734 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:19:33.736 CEST 2022: CMC-q finished in 2.41 s.
