Mon May 13 14:20:27.616 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:20:27.631 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_H04\1\pdata\1
Mon May 13 14:20:27.651 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:20:27.666 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:20:27.676 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:20:27.696 CEST 2019: No HSQC data available
Mon May 13 14:20:27.726 CEST 2019: No C13 data available
Mon May 13 14:20:27.746 CEST 2019: No HMBC data available
Mon May 13 14:20:27.761 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:20:27.811 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:20:28.206 CEST 2019: Structure is used: true
Mon May 13 14:20:28.241 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_H04/1/0110705955.mol
Mon May 13 14:20:28.251 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Mon May 13 14:20:28.266 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:20:28.276 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:20:28.286 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:20:28.296 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:20:28.306 CEST 2019: Spectrum is suppressed.
Mon May 13 14:20:28.316 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:20:28.326 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:20:28.336 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:20:28.351 CEST 2019: Expected impurity: TSP
Mon May 13 14:20:28.356 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:20:28.366 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 13 14:20:28.381 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 13 14:20:28.386 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:20:28.396 CEST 2019: RMSD noise: 644.380 (5.250/4.751)
Mon May 13 14:20:28.406 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:20:28.422 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:20:28.431 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:20:28.476 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:20:28.741 CEST 2019: Number of Peaks: (52, 17)
Mon May 13 14:20:28.751 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 13 14:20:28.756 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:20:28.766 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:20:28.776 CEST 2019: Signal-to-Noise ratio: 5494.32 (1.153 ppm)
Mon May 13 14:20:28.791 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:20:28.801 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:28.806 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Mon May 13 14:20:28.867 CEST 2019: Number of Multiplets: 95
Mon May 13 14:20:28.876 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 14:20:28.986 CEST 2019: Number of Peak Cluster: 16
Mon May 13 14:20:28.996 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 14:20:29.072 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 14:20:29.531 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Mon May 13 14:20:29.566 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:20:29.586 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:20:29.606 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:20:29.611 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:20:29.631 CEST 2019: Number of consistent PNS: 20
Mon May 13 14:20:29.641 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:20:29.676 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Mon May 13 14:20:29.686 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:30.856 CEST 2019: Elapsed time for evaluation (BU Suite): 1.23 s.
Mon May 13 14:20:30.881 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:20:30.891 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:20:31.651 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 13 14:20:31.656 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:31.671 CEST 2019: CMC-q finished in 4.07 s.
