Wed May 08 09:13:28.437 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:13:28.437 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_5\1\pdata\1
Wed May 08 09:13:28.469 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:13:28.469 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:13:28.484 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:13:28.500 CEST 2019: No HSQC data available
Wed May 08 09:13:28.515 CEST 2019: No C13 data available
Wed May 08 09:13:28.531 CEST 2019: No HMBC data available
Wed May 08 09:13:28.547 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:13:28.578 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:13:29.001 CEST 2019: Structure is used: true
Wed May 08 09:13:29.032 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_5/1/33.mol
Wed May 08 09:13:29.032 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Wed May 08 09:13:29.048 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:13:29.063 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:13:29.063 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:13:29.079 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:13:29.079 CEST 2019: Spectrum is suppressed.
Wed May 08 09:13:29.095 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:13:29.095 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:13:29.110 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:13:29.110 CEST 2019: Expected impurity: TSP
Wed May 08 09:13:29.126 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:13:29.126 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 09:13:29.142 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 09:13:29.142 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:13:29.157 CEST 2019: RMSD noise: 642.737 (10.704/10.204)
Wed May 08 09:13:29.157 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:13:29.173 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:13:29.173 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:29.220 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 09:13:29.376 CEST 2019: Number of Peaks: (46, 5)
Wed May 08 09:13:29.392 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 09:13:29.392 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:13:29.407 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:29.407 CEST 2019: Signal-to-Noise ratio: 163.07 (3.270 ppm)
Wed May 08 09:13:29.428 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:13:29.429 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:29.429 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 09:13:29.476 CEST 2019: Number of Multiplets: 111
Wed May 08 09:13:29.491 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:13:29.554 CEST 2019: Number of Peak Cluster: 13
Wed May 08 09:13:29.554 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:13:29.680 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 09:13:29.977 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:13:29.992 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:13:30.008 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:13:30.008 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:13:30.024 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:13:30.039 CEST 2019: Number of consistent PNS: 40
Wed May 08 09:13:30.039 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:13:30.070 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:13:30.070 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:30.965 CEST 2019: Elapsed time for evaluation (BU Suite): 0.93 s.
Wed May 08 09:13:30.980 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:13:30.996 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:13:31.575 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 09:13:31.575 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:31.591 CEST 2019: CMC-q finished in 3.15 s.
