Mon Jul 04 16:47:11.375 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:47:11.377 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D5_OS_Plate05_D5\1\pdata\1
Mon Jul 04 16:47:11.385 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:47:11.388 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:47:11.391 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:47:11.418 CEST 2022: No HSQC data available
Mon Jul 04 16:47:11.430 CEST 2022: No C13 data available
Mon Jul 04 16:47:11.442 CEST 2022: No HMBC data available
Mon Jul 04 16:47:11.449 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:47:11.469 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:47:11.622 CEST 2022: Structure is used: true
Mon Jul 04 16:47:11.625 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D5_OS_Plate05_D5/1/5_OS_Plate05_D5.mol
Mon Jul 04 16:47:11.628 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 16:47:11.640 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:47:11.642 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:47:11.646 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:47:11.648 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:47:11.650 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:47:11.652 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:47:11.655 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:47:11.659 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:47:11.662 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:47:11.665 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:47:11.667 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:47:11.669 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 16:47:11.671 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:47:11.674 CEST 2022: RMSD noise: 27693976.585 (-2.860/-3.360)
Mon Jul 04 16:47:11.676 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:47:11.679 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:47:11.683 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:47:11.706 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:47:11.772 CEST 2022: Number of Peaks: (52, 22)
Mon Jul 04 16:47:11.775 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:47:11.778 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:47:11.814 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:47:11.818 CEST 2022: Signal-to-Noise ratio: 5823.50 (3.060 ppm)
Mon Jul 04 16:47:11.821 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:47:11.823 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:11.825 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:47:11.833 CEST 2022: Number of Multiplets: 69
Mon Jul 04 16:47:11.836 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:47:11.874 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:47:11.881 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:47:11.885 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:47:12.016 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:47:12.046 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:47:12.051 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:47:12.055 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:47:12.058 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:47:12.061 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:47:12.121 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Mon Jul 04 16:47:12.399 CEST 2022: Elapsed time for evaluation (IN Suite): 0.27 s.
Mon Jul 04 16:47:12.650 CEST 2022: Elapsed time for evaluation (BU Suite): 0.25 s.
Mon Jul 04 16:47:12.703 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:47:12.706 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:47:13.049 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:47:13.052 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:13.055 CEST 2022: CMC-q finished in 1.68 s.
