Mon May 13 13:41:08.971 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:41:08.981 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_F04\1\pdata\1
Mon May 13 13:41:09.001 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:41:09.011 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:41:09.021 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:41:09.041 CEST 2019: No HSQC data available
Mon May 13 13:41:09.061 CEST 2019: No C13 data available
Mon May 13 13:41:09.071 CEST 2019: No HMBC data available
Mon May 13 13:41:09.081 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:41:09.131 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:41:09.546 CEST 2019: Structure is used: true
Mon May 13 13:41:09.571 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_F04/1/0110705787.mol
Mon May 13 13:41:09.581 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Mon May 13 13:41:09.591 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:41:09.601 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:41:09.617 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:41:09.621 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:41:09.631 CEST 2019: Spectrum is suppressed.
Mon May 13 13:41:09.641 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:41:09.641 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:41:09.653 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:41:09.661 CEST 2019: Expected impurity: TSP
Mon May 13 13:41:09.671 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:41:09.681 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 13:41:09.691 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 13:41:09.701 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:41:09.701 CEST 2019: RMSD noise: 705.160 (9.492/8.992)
Mon May 13 13:41:09.717 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:41:09.721 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:41:09.731 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:41:09.771 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:41:09.961 CEST 2019: Number of Peaks: (55, 19)
Mon May 13 13:41:09.971 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:41:09.981 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:41:09.981 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:41:09.991 CEST 2019: Signal-to-Noise ratio: 2169.63 (1.301 ppm)
Mon May 13 13:41:10.001 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:41:10.011 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:41:10.021 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:41:10.052 CEST 2019: Number of Multiplets: 84
Mon May 13 13:41:10.061 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:41:10.141 CEST 2019: Number of Peak Cluster: 21
Mon May 13 13:41:10.151 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:41:10.191 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:41:10.531 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 13 13:41:10.561 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:41:10.571 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:41:10.581 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:41:10.591 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:41:10.611 CEST 2019: Number of consistent PNS: 30
Mon May 13 13:41:10.617 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:41:10.631 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:41:10.631 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:41:11.326 CEST 2019: Elapsed time for evaluation (BU Suite): 0.72 s.
Mon May 13 13:41:11.341 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:41:11.351 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:41:11.931 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Mon May 13 13:41:11.941 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:41:11.951 CEST 2019: CMC-q finished in 2.98 s.
