Mon May 06 22:56:12.182 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:56:12.198 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\58\pdata\1
Mon May 06 22:56:12.213 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:56:12.229 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:56:12.244 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:56:12.260 CEST 2019: No HSQC data available
Mon May 06 22:56:12.276 CEST 2019: No C13 data available
Mon May 06 22:56:12.291 CEST 2019: No HMBC data available
Mon May 06 22:56:12.307 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:56:12.364 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:56:13.193 CEST 2019: Structure is used: true
Mon May 06 22:56:13.224 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/58/E10.mol
Mon May 06 22:56:13.240 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.87 s.
Mon May 06 22:56:13.256 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:56:13.271 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:56:13.271 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:56:13.287 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:56:13.302 CEST 2019: Spectrum is suppressed.
Mon May 06 22:56:13.302 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:56:13.318 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:56:13.318 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:56:13.334 CEST 2019: Expected impurity: TSP
Mon May 06 22:56:13.349 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:56:13.349 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 22:56:13.365 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 22:56:13.380 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:56:13.380 CEST 2019: RMSD noise: 655.654 (1.009/0.509)
Mon May 06 22:56:13.396 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:56:13.412 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:56:13.412 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:56:13.459 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 22:56:13.680 CEST 2019: Number of Peaks: (44, 20)
Mon May 06 22:56:13.680 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 06 22:56:13.696 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:56:13.711 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:56:13.711 CEST 2019: Signal-to-Noise ratio: 940.53 (7.537 ppm)
Mon May 06 22:56:13.727 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:56:13.743 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:56:13.743 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 22:56:13.789 CEST 2019: Number of Multiplets: 99
Mon May 06 22:56:13.805 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 22:56:13.883 CEST 2019: Number of Peak Cluster: 17
Mon May 06 22:56:13.899 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 06 22:56:13.993 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 06 22:56:14.338 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 06 22:56:14.385 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 22:56:14.400 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:56:14.400 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:56:14.416 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:56:14.432 CEST 2019: Number of consistent PNS: 30
Mon May 06 22:56:14.447 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:56:14.463 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:56:14.478 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:56:15.558 CEST 2019: Elapsed time for evaluation (BU Suite): 1.13 s.
Mon May 06 22:56:15.589 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:56:15.589 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:56:16.310 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.74 s.
Mon May 06 22:56:16.310 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:56:16.326 CEST 2019: CMC-q finished in 4.14 s.
