Mon Jul 04 16:28:37.365 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:28:37.367 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H10_OS_Plate012_H10\1\pdata\1
Mon Jul 04 16:28:37.375 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:28:37.379 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:28:37.382 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:28:37.418 CEST 2022: No HSQC data available
Mon Jul 04 16:28:37.431 CEST 2022: No C13 data available
Mon Jul 04 16:28:37.444 CEST 2022: No HMBC data available
Mon Jul 04 16:28:37.454 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:28:37.472 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:28:37.604 CEST 2022: Structure is used: true
Mon Jul 04 16:28:37.626 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H10_OS_Plate012_H10/1/H10_OS_Plate12_H10-55ab320b-5a74-4d59-97b1-6d40666313b5.mol
Mon Jul 04 16:28:37.628 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:28:37.634 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:28:37.637 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:28:37.639 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:28:37.642 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:28:37.644 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:28:37.646 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:28:37.649 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:28:37.653 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:28:37.656 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:28:37.659 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:28:37.661 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:28:37.663 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 16:28:37.666 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:28:37.668 CEST 2022: RMSD noise: 28911800.501 (12.669/12.169)
Mon Jul 04 16:28:37.670 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:28:37.673 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:28:37.677 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:28:37.701 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:28:37.797 CEST 2022: Number of Peaks: (84, 26)
Mon Jul 04 16:28:37.800 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:28:37.802 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:28:37.850 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:28:37.853 CEST 2022: Signal-to-Noise ratio: 4175.16 (1.166 ppm)
Mon Jul 04 16:28:37.856 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:28:37.858 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:37.861 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:28:37.883 CEST 2022: Number of Multiplets: 151
Mon Jul 04 16:28:37.886 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:28:37.938 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:28:37.944 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:28:37.960 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:28:38.096 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:28:38.102 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:28:38.106 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:28:38.110 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:28:38.113 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:28:38.118 CEST 2022: Number of consistent PNS: 35
Mon Jul 04 16:28:38.120 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:28:38.126 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:28:38.128 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:38.804 CEST 2022: Elapsed time for evaluation (BU Suite): 0.69 s.
Mon Jul 04 16:28:38.853 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:28:38.856 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:28:39.204 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:28:39.207 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:39.209 CEST 2022: CMC-q finished in 1.84 s.
