Tue Jul 05 12:07:00.608 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:07:00.611 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G7_OS_Plate012_G7\1\pdata\1
Tue Jul 05 12:07:00.619 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:07:00.623 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:07:00.625 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:07:00.682 CEST 2022: No HSQC data available
Tue Jul 05 12:07:00.694 CEST 2022: No C13 data available
Tue Jul 05 12:07:00.707 CEST 2022: No HMBC data available
Tue Jul 05 12:07:00.714 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:07:00.736 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:07:00.840 CEST 2022: Structure is used: true
Tue Jul 05 12:07:00.843 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G7_OS_Plate012_G7/1/D2_EUOS_Remeasure_D2-547fac52-40ff-4eb2-8a8d-658347e53bc5.mol
Tue Jul 05 12:07:00.846 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Tue Jul 05 12:07:00.857 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:07:00.859 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:07:00.862 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:07:00.865 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:07:00.867 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:07:00.870 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:07:00.872 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:07:00.876 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:07:00.879 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:07:00.882 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:07:00.885 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:07:00.887 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 12:07:00.889 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 12:07:00.892 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:07:00.895 CEST 2022: RMSD noise: 19033865.500 (-0.285/-0.785)
Tue Jul 05 12:07:00.897 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:07:00.900 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:07:00.904 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:07:00.929 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:07:01.037 CEST 2022: Number of Peaks: (107, 10)
Tue Jul 05 12:07:01.040 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Tue Jul 05 12:07:01.043 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:07:01.145 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Tue Jul 05 12:07:01.171 CEST 2022: Signal-to-Noise ratio: 1215.84 (4.082 ppm)
Tue Jul 05 12:07:01.174 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:07:01.176 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:07:01.179 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.33 s.
Tue Jul 05 12:07:01.213 CEST 2022: Number of Multiplets: 202
Tue Jul 05 12:07:01.216 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:07:01.276 CEST 2022: Number of Peak Cluster: 31
Tue Jul 05 12:07:01.283 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Tue Jul 05 12:07:01.316 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Tue Jul 05 12:07:01.489 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Tue Jul 05 12:07:01.499 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:07:01.504 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:07:01.508 CEST 2022: Number of consistent PNS: 3
Tue Jul 05 12:07:01.511 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:07:01.515 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:07:01.567 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Tue Jul 05 12:07:01.841 CEST 2022: Elapsed time for evaluation (IN Suite): 0.27 s.
Tue Jul 05 12:07:02.813 CEST 2022: Elapsed time for evaluation (BU Suite): 0.97 s.
Tue Jul 05 12:07:02.869 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:07:02.871 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Tue Jul 05 12:07:03.261 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Tue Jul 05 12:07:03.265 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:07:03.267 CEST 2022: CMC-q finished in 2.66 s.
