Mon May 06 23:03:26.401 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:03:26.401 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\80\pdata\1
Mon May 06 23:03:26.432 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:03:26.432 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:03:26.448 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:03:26.464 CEST 2019: No HSQC data available
Mon May 06 23:03:26.503 CEST 2019: No C13 data available
Mon May 06 23:03:26.518 CEST 2019: No HMBC data available
Mon May 06 23:03:26.534 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:03:26.581 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:03:27.191 CEST 2019: Structure is used: true
Mon May 06 23:03:27.207 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/80/G08.mol
Mon May 06 23:03:27.222 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.63 s.
Mon May 06 23:03:27.238 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:03:27.254 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:03:27.269 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:03:27.269 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:03:27.285 CEST 2019: Spectrum is suppressed.
Mon May 06 23:03:27.301 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:03:27.301 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:03:27.316 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:03:27.332 CEST 2019: Expected impurity: TSP
Mon May 06 23:03:27.332 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:03:27.347 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 06 23:03:27.363 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 06 23:03:27.363 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:03:27.379 CEST 2019: RMSD noise: 691.452 (-0.203/-0.703)
Mon May 06 23:03:27.394 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:03:27.410 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:03:27.410 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:03:27.457 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:03:27.800 CEST 2019: Number of Peaks: (77, 22)
Mon May 06 23:03:27.816 CEST 2019: Elapsed time for evaluation (PP Suite): 0.34 s.
Mon May 06 23:03:27.832 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:03:27.847 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:03:27.863 CEST 2019: Signal-to-Noise ratio: 349.85 (1.241 ppm)
Mon May 06 23:03:27.879 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:03:27.879 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:03:27.894 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.66 s.
Mon May 06 23:03:28.003 CEST 2019: Number of Multiplets: 158
Mon May 06 23:03:28.003 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.11 s.
Mon May 06 23:03:28.144 CEST 2019: Number of Peak Cluster: 19
Mon May 06 23:03:28.160 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Mon May 06 23:03:28.347 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Mon May 06 23:03:29.144 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.79 s.
Mon May 06 23:03:29.206 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:03:29.222 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:03:29.238 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:03:29.253 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:03:29.269 CEST 2019: Number of consistent PNS: 40
Mon May 06 23:03:29.284 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:03:29.332 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Mon May 06 23:03:29.348 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:03:31.336 CEST 2019: Elapsed time for evaluation (BU Suite): 2.07 s.
Mon May 06 23:03:31.367 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:03:31.367 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:03:32.117 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 23:03:32.133 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:03:32.148 CEST 2019: CMC-q finished in 5.75 s.
