Mon May 13 14:01:48.099 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:01:48.099 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_C04\1\pdata\1
Mon May 13 14:01:48.128 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:01:48.138 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:01:48.148 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:01:48.168 CEST 2019: No HSQC data available
Mon May 13 14:01:48.190 CEST 2019: No C13 data available
Mon May 13 14:01:48.208 CEST 2019: No HMBC data available
Mon May 13 14:01:48.223 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:01:48.274 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:01:48.898 CEST 2019: Structure is used: true
Mon May 13 14:01:48.938 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_C04/1/0110706020.mol
Mon May 13 14:01:48.938 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Mon May 13 14:01:48.963 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:01:48.968 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:01:48.978 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:01:48.991 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:01:48.999 CEST 2019: Spectrum is suppressed.
Mon May 13 14:01:49.008 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:01:49.018 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:01:49.028 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:01:49.048 CEST 2019: Expected impurity: TSP
Mon May 13 14:01:49.058 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:01:49.068 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]
Mon May 13 14:01:49.079 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]
Mon May 13 14:01:49.089 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:01:49.098 CEST 2019: RMSD noise: 708.349 (9.492/8.992)
Mon May 13 14:01:49.108 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:01:49.118 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:01:49.128 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:01:49.178 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:01:49.388 CEST 2019: Number of Peaks: (43, 7)
Mon May 13 14:01:49.408 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 13 14:01:49.418 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:01:49.429 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:01:49.439 CEST 2019: Signal-to-Noise ratio: 344.01 (3.270 ppm)
Mon May 13 14:01:49.448 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:01:49.459 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:01:49.468 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 13 14:01:49.514 CEST 2019: Number of Multiplets: 86
Mon May 13 14:01:49.518 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 14:01:49.598 CEST 2019: Number of Peak Cluster: 13
Mon May 13 14:01:49.609 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 14:01:49.778 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 13 14:01:50.148 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Mon May 13 14:01:50.192 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:01:50.198 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:01:50.218 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:01:50.228 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:01:50.248 CEST 2019: Number of consistent PNS: 20
Mon May 13 14:01:50.258 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:01:50.283 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:01:50.292 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:01:51.229 CEST 2019: Elapsed time for evaluation (BU Suite): 0.99 s.
Mon May 13 14:01:51.248 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:01:51.258 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:01:52.078 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Mon May 13 14:01:52.093 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:01:52.098 CEST 2019: CMC-q finished in 4.01 s.
