Mon May 06 23:08:44.298 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:08:44.298 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\1\pdata\1
Mon May 06 23:08:44.329 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:08:44.329 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:08:44.344 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:08:44.376 CEST 2019: No HSQC data available
Mon May 06 23:08:44.391 CEST 2019: No C13 data available
Mon May 06 23:08:44.407 CEST 2019: No HMBC data available
Mon May 06 23:08:44.423 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:08:44.477 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:08:45.228 CEST 2019: Structure is used: true
Mon May 06 23:08:45.259 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/1/A01.mol
Mon May 06 23:08:45.275 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.79 s.
Mon May 06 23:08:45.291 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:08:45.306 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:08:45.306 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:08:45.322 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:08:45.322 CEST 2019: Spectrum is suppressed.
Mon May 06 23:08:45.337 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:08:45.353 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:08:45.353 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:08:45.366 CEST 2019: Expected impurity: TSP
Mon May 06 23:08:45.382 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:08:45.398 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 23:08:45.398 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 23:08:45.413 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:08:45.429 CEST 2019: RMSD noise: 692.941 (4.644/4.145)
Mon May 06 23:08:45.429 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:08:45.444 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:08:45.460 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:08:45.507 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:08:45.664 CEST 2019: Number of Peaks: (28, 12)
Mon May 06 23:08:45.664 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 06 23:08:45.680 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:08:45.696 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:08:45.696 CEST 2019: Signal-to-Noise ratio: 173.80 (3.681 ppm)
Mon May 06 23:08:45.711 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:08:45.727 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:08:45.727 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 06 23:08:45.789 CEST 2019: Number of Multiplets: 114
Mon May 06 23:08:45.789 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 23:08:45.868 CEST 2019: Number of Peak Cluster: 9
Mon May 06 23:08:45.868 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:08:46.039 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 06 23:08:46.383 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 06 23:08:46.430 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:08:46.446 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:08:46.446 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:08:46.461 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:08:46.477 CEST 2019: Number of consistent PNS: 15
Mon May 06 23:08:46.492 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:08:46.524 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 06 23:08:46.539 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:08:47.167 CEST 2019: Elapsed time for evaluation (BU Suite): 0.69 s.
Mon May 06 23:08:47.183 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:08:47.198 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:08:47.887 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Mon May 06 23:08:47.903 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:08:47.934 CEST 2019: CMC-q finished in 3.64 s.
