Wed May 08 09:14:47.959 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:14:47.975 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_11\1\pdata\1
Wed May 08 09:14:47.991 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:14:47.991 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:14:48.006 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:14:48.022 CEST 2019: No HSQC data available
Wed May 08 09:14:48.037 CEST 2019: No C13 data available
Wed May 08 09:14:48.053 CEST 2019: No HMBC data available
Wed May 08 09:14:48.069 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:14:48.100 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:14:48.867 CEST 2019: Structure is used: true
Wed May 08 09:14:48.882 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_11/1/81.mol
Wed May 08 09:14:48.898 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.76 s.
Wed May 08 09:14:48.913 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:14:48.913 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:14:48.929 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:14:48.929 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:14:48.945 CEST 2019: Spectrum is suppressed.
Wed May 08 09:14:48.945 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:14:48.960 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:14:48.960 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:14:48.976 CEST 2019: Expected impurity: TSP
Wed May 08 09:14:48.976 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:14:48.992 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 09:14:48.992 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 09:14:49.007 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:14:49.007 CEST 2019: RMSD noise: 671.096 (10.704/10.204)
Wed May 08 09:14:49.023 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:14:49.023 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:14:49.038 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:14:49.070 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:14:49.274 CEST 2019: Number of Peaks: (69, 12)
Wed May 08 09:14:49.290 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 09:14:49.290 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:14:49.306 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:14:49.306 CEST 2019: Signal-to-Noise ratio: 149.69 (3.269 ppm)
Wed May 08 09:14:49.321 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:14:49.321 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:49.337 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Wed May 08 09:14:49.416 CEST 2019: Number of Multiplets: 159
Wed May 08 09:14:49.432 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Wed May 08 09:14:49.526 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:14:49.526 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:14:49.650 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 09:14:50.088 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Wed May 08 09:14:50.135 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 09:14:50.150 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:14:50.166 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:14:50.166 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:14:50.197 CEST 2019: Number of consistent PNS: 55
Wed May 08 09:14:50.197 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:14:50.229 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:14:50.229 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:51.702 CEST 2019: Elapsed time for evaluation (BU Suite): 1.53 s.
Wed May 08 09:14:51.718 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:14:51.734 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:14:52.345 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:14:52.345 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:52.361 CEST 2019: CMC-q finished in 4.40 s.
