Tue Jul 05 12:17:18.975 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:17:18.977 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H11_EUOS_Plate10_H11\1\pdata\1
Tue Jul 05 12:17:18.985 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:17:18.989 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:17:18.991 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:17:19.021 CEST 2022: No HSQC data available
Tue Jul 05 12:17:19.034 CEST 2022: No C13 data available
Tue Jul 05 12:17:19.046 CEST 2022: No HMBC data available
Tue Jul 05 12:17:19.055 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:17:19.075 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:17:19.180 CEST 2022: Structure is used: true
Tue Jul 05 12:17:19.183 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H11_EUOS_Plate10_H11/1/H11_EUOS_Plate10_H11-f44338ec-38ff-41c2-a0ee-230635947802.mol
Tue Jul 05 12:17:19.185 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Tue Jul 05 12:17:19.197 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:17:19.199 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:17:19.203 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:17:19.205 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:17:19.207 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:17:19.209 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:17:19.211 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:17:19.215 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:17:19.218 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:17:19.221 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:17:19.224 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:17:19.226 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]
Tue Jul 05 12:17:19.228 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:17:19.231 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:17:19.233 CEST 2022: RMSD noise: 17928703.136 (-1.670/-2.170)
Tue Jul 05 12:17:19.235 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:17:19.238 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:17:19.242 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:17:19.266 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:17:19.397 CEST 2022: Number of Peaks: (103, 8)
Tue Jul 05 12:17:19.422 CEST 2022: Elapsed time for evaluation (PP Suite): 0.15 s.
Tue Jul 05 12:17:19.424 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:17:21.546 CEST 2022: Elapsed time for evaluation (SAR Suite): 2.12 s.
Tue Jul 05 12:17:21.549 CEST 2022: Signal-to-Noise ratio: 927.89 (6.922 ppm)
Tue Jul 05 12:17:21.552 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:17:21.554 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:17:21.556 CEST 2022: Elapsed time for evaluation (PRE Suite): 2.37 s.
Tue Jul 05 12:17:21.599 CEST 2022: Number of Multiplets: 210
Tue Jul 05 12:17:21.602 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Tue Jul 05 12:17:21.662 CEST 2022: Number of Peak Cluster: 26
Tue Jul 05 12:17:21.668 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Tue Jul 05 12:17:21.698 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Tue Jul 05 12:17:21.873 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Tue Jul 05 12:17:21.886 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:17:21.890 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:17:21.894 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:17:21.896 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:17:21.903 CEST 2022: Number of consistent PNS: 30
Tue Jul 05 12:17:21.905 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:17:21.916 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Tue Jul 05 12:17:21.919 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:17:23.102 CEST 2022: Elapsed time for evaluation (BU Suite): 1.20 s.
Tue Jul 05 12:17:23.387 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:17:23.390 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:17:23.763 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.66 s.
Tue Jul 05 12:17:23.766 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:17:23.768 CEST 2022: CMC-q finished in 4.79 s.
