Mon May 06 23:06:48.602 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:06:48.618 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\92\pdata\1
Mon May 06 23:06:48.634 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:06:48.649 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:06:48.665 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:06:48.681 CEST 2019: No HSQC data available
Mon May 06 23:06:48.696 CEST 2019: No C13 data available
Mon May 06 23:06:48.727 CEST 2019: No HMBC data available
Mon May 06 23:06:48.727 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:06:48.790 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:06:49.244 CEST 2019: Structure is used: true
Mon May 06 23:06:49.260 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/92/H08.mol
Mon May 06 23:06:49.276 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.48 s.
Mon May 06 23:06:49.291 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:06:49.307 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:06:49.322 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:06:49.322 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:06:49.338 CEST 2019: Spectrum is suppressed.
Mon May 06 23:06:49.338 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:06:49.354 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:06:49.369 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:06:49.369 CEST 2019: Expected impurity: TSP
Mon May 06 23:06:49.385 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:06:49.400 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 23:06:49.400 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 23:06:49.416 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:06:49.432 CEST 2019: RMSD noise: 629.261 (10.704/10.204)
Mon May 06 23:06:49.432 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:06:49.447 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:06:49.463 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:06:49.510 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:06:49.713 CEST 2019: Number of Peaks: (34, 20)
Mon May 06 23:06:49.744 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Mon May 06 23:06:49.760 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:06:49.760 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:06:49.775 CEST 2019: Signal-to-Noise ratio: 2675.81 (3.697 ppm)
Mon May 06 23:06:49.791 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:06:49.807 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:06:49.807 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Mon May 06 23:06:49.853 CEST 2019: Number of Multiplets: 91
Mon May 06 23:06:49.853 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:06:49.963 CEST 2019: Number of Peak Cluster: 16
Mon May 06 23:06:49.963 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 06 23:06:50.135 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 23:06:50.510 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Mon May 06 23:06:50.510 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:06:50.525 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:06:50.541 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:06:50.556 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:06:50.572 CEST 2019: Number of consistent PNS: 30
Mon May 06 23:06:50.572 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:06:50.603 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:06:50.619 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:06:51.338 CEST 2019: Elapsed time for evaluation (BU Suite): 0.78 s.
Mon May 06 23:06:51.369 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:06:51.384 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:06:52.073 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.73 s.
Mon May 06 23:06:52.089 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:06:52.104 CEST 2019: CMC-q finished in 3.50 s.
