Wed May 08 10:57:25.273 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:57:25.289 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_55\1\pdata\1
Wed May 08 10:57:25.304 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:57:25.320 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:57:25.320 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:57:25.398 CEST 2019: No HSQC data available
Wed May 08 10:57:25.429 CEST 2019: No C13 data available
Wed May 08 10:57:25.461 CEST 2019: No HMBC data available
Wed May 08 10:57:25.476 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:57:25.539 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 10:57:26.024 CEST 2019: Structure is used: true
Wed May 08 10:57:26.040 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_55/1/E07.mol
Wed May 08 10:57:26.055 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.51 s.
Wed May 08 10:57:26.090 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 10:57:26.090 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:57:26.106 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:57:26.106 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:57:26.122 CEST 2019: Spectrum is suppressed.
Wed May 08 10:57:26.122 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:57:26.137 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:57:26.153 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:57:26.168 CEST 2019: Expected impurity: TSP
Wed May 08 10:57:26.168 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:57:26.184 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 10:57:26.200 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 10:57:26.200 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:57:26.215 CEST 2019: RMSD noise: 665.431 (-0.812/-1.312)
Wed May 08 10:57:26.215 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:57:26.231 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:57:26.247 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:57:26.295 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:57:26.498 CEST 2019: Number of Peaks: (50, 19)
Wed May 08 10:57:26.513 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 10:57:26.529 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:57:26.541 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:57:26.542 CEST 2019: Signal-to-Noise ratio: 2286.81 (3.380 ppm)
Wed May 08 10:57:26.558 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:57:26.558 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:57:26.574 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Wed May 08 10:57:26.621 CEST 2019: Number of Multiplets: 89
Wed May 08 10:57:26.621 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 10:57:26.723 CEST 2019: Number of Peak Cluster: 20
Wed May 08 10:57:26.738 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 10:57:26.849 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Wed May 08 10:57:27.320 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.47 s.
Wed May 08 10:57:27.367 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:57:27.398 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 10:57:27.414 CEST 2019: Number of consistent PNS: 0
Wed May 08 10:57:27.414 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:57:27.445 CEST 2019: Number of consistent PNS: 25
Wed May 08 10:57:27.461 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 10:57:27.476 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 10:57:27.492 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:57:28.474 CEST 2019: Elapsed time for evaluation (BU Suite): 1.03 s.
Wed May 08 10:57:28.505 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 10:57:28.505 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 10:57:29.319 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 10:57:29.334 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:57:29.350 CEST 2019: CMC-q finished in 4.08 s.
