Wed May 08 09:26:50.412 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:26:50.427 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_57\1\pdata\1
Wed May 08 09:26:50.443 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:26:50.458 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:26:50.458 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:26:50.474 CEST 2019: No HSQC data available
Wed May 08 09:26:50.505 CEST 2019: No C13 data available
Wed May 08 09:26:50.521 CEST 2019: No HMBC data available
Wed May 08 09:26:50.536 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:26:50.583 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:26:51.297 CEST 2019: Structure is used: true
Wed May 08 09:26:51.328 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_57/1/69.mol
Wed May 08 09:26:51.344 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.75 s.
Wed May 08 09:26:51.359 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:26:51.359 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:26:51.375 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:26:51.375 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:26:51.375 CEST 2019: Spectrum is suppressed.
Wed May 08 09:26:51.391 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:26:51.406 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:26:51.406 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:26:51.422 CEST 2019: Expected impurity: TSP
Wed May 08 09:26:51.422 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:26:51.437 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 09:26:51.437 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 09:26:51.453 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:26:51.453 CEST 2019: RMSD noise: 656.491 (1.009/0.509)
Wed May 08 09:26:51.469 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:26:51.469 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:26:51.484 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:26:51.523 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 09:26:51.695 CEST 2019: Number of Peaks: (48, 11)
Wed May 08 09:26:51.728 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:26:51.728 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:26:51.743 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:26:51.743 CEST 2019: Signal-to-Noise ratio: 183.09 (2.212 ppm)
Wed May 08 09:26:51.760 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:26:51.760 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:26:51.776 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Wed May 08 09:26:51.807 CEST 2019: Number of Multiplets: 92
Wed May 08 09:26:51.823 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:26:51.901 CEST 2019: Number of Peak Cluster: 20
Wed May 08 09:26:51.901 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:26:51.963 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 09:26:52.285 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 09:26:52.301 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:26:52.316 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:26:52.332 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:26:52.332 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:26:52.363 CEST 2019: Number of consistent PNS: 40
Wed May 08 09:26:52.363 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:26:52.394 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:26:52.410 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:26:53.075 CEST 2019: Elapsed time for evaluation (BU Suite): 0.73 s.
Wed May 08 09:26:53.107 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:26:53.107 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:26:53.734 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.65 s.
Wed May 08 09:26:53.749 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:26:53.749 CEST 2019: CMC-q finished in 3.34 s.
