Wed May 08 11:51:17.266 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:51:17.282 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_17\1\pdata\1
Wed May 08 11:51:17.297 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:51:17.313 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:51:17.329 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:51:17.376 CEST 2019: No HSQC data available
Wed May 08 11:51:17.424 CEST 2019: No C13 data available
Wed May 08 11:51:17.471 CEST 2019: No HMBC data available
Wed May 08 11:51:17.490 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:51:17.552 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:51:18.226 CEST 2019: Structure is used: true
Wed May 08 11:51:18.257 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_17/1/B05.mol
Wed May 08 11:51:18.273 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.71 s.
Wed May 08 11:51:18.295 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:51:18.311 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:51:18.311 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:51:18.327 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:51:18.342 CEST 2019: Spectrum is suppressed.
Wed May 08 11:51:18.342 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:51:18.358 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:51:18.374 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:51:18.389 CEST 2019: Expected impurity: TSP
Wed May 08 11:51:18.389 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:51:18.405 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 11:51:18.405 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 11:51:18.420 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:51:18.436 CEST 2019: RMSD noise: 644.078 (9.492/8.992)
Wed May 08 11:51:18.436 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:51:18.452 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:51:18.467 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:51:18.515 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:51:18.734 CEST 2019: Number of Peaks: (53, 21)
Wed May 08 11:51:18.734 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 11:51:18.750 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:51:18.765 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:51:18.765 CEST 2019: Signal-to-Noise ratio: 577.94 (4.008 ppm)
Wed May 08 11:51:18.781 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:51:18.781 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:51:18.797 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 11:51:18.828 CEST 2019: Number of Multiplets: 114
Wed May 08 11:51:18.843 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 11:51:18.937 CEST 2019: Number of Peak Cluster: 17
Wed May 08 11:51:18.937 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 11:51:18.984 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 11:51:19.453 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Wed May 08 11:51:19.500 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:51:19.515 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:51:19.531 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:51:19.531 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:51:19.546 CEST 2019: Number of consistent PNS: 40
Wed May 08 11:51:19.562 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:51:19.593 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 11:51:19.593 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:51:20.206 CEST 2019: Elapsed time for evaluation (BU Suite): 0.66 s.
Wed May 08 11:51:20.235 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:51:20.235 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:51:21.048 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 11:51:21.064 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:51:21.080 CEST 2019: CMC-q finished in 3.81 s.
