Mon May 06 23:17:44.545 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:17:44.545 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\32\pdata\1
Mon May 06 23:17:44.576 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:17:44.576 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:17:44.591 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:17:44.607 CEST 2019: No HSQC data available
Mon May 06 23:17:44.638 CEST 2019: No C13 data available
Mon May 06 23:17:44.654 CEST 2019: No HMBC data available
Mon May 06 23:17:44.670 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:17:44.720 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:17:45.252 CEST 2019: Structure is used: true
Mon May 06 23:17:45.299 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/32/C08.mol
Mon May 06 23:17:45.299 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.58 s.
Mon May 06 23:17:45.315 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:17:45.330 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:17:45.346 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:17:45.346 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:17:45.361 CEST 2019: Spectrum is suppressed.
Mon May 06 23:17:45.377 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:17:45.377 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:17:45.393 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:17:45.408 CEST 2019: Expected impurity: TSP
Mon May 06 23:17:45.408 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:17:45.425 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 23:17:45.441 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 23:17:45.441 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:17:45.456 CEST 2019: RMSD noise: 659.580 (1.009/0.509)
Mon May 06 23:17:45.472 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:17:45.472 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:17:45.487 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:17:45.534 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:17:45.692 CEST 2019: Number of Peaks: (33, 13)
Mon May 06 23:17:45.707 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 06 23:17:45.707 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:17:45.723 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:17:45.739 CEST 2019: Signal-to-Noise ratio: 3417.06 (3.787 ppm)
Mon May 06 23:17:45.739 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:17:45.754 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:17:45.770 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 06 23:17:45.801 CEST 2019: Number of Multiplets: 69
Mon May 06 23:17:45.817 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 06 23:17:45.895 CEST 2019: Number of Peak Cluster: 16
Mon May 06 23:17:45.911 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 06 23:17:46.067 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 06 23:17:46.426 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Mon May 06 23:17:46.457 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:17:46.473 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:17:46.488 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:17:46.504 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:17:46.520 CEST 2019: Number of consistent PNS: 25
Mon May 06 23:17:46.520 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:17:46.551 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:17:46.551 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:17:46.926 CEST 2019: Elapsed time for evaluation (BU Suite): 0.42 s.
Mon May 06 23:17:46.973 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:17:46.973 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:17:47.679 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 06 23:17:47.695 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:17:47.726 CEST 2019: CMC-q finished in 3.18 s.
