Wed May 08 11:20:39.434 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:20:39.450 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_62\1\pdata\1
Wed May 08 11:20:39.465 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:20:39.481 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:20:39.496 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:20:39.528 CEST 2019: No HSQC data available
Wed May 08 11:20:39.575 CEST 2019: No C13 data available
Wed May 08 11:20:39.606 CEST 2019: No HMBC data available
Wed May 08 11:20:39.621 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:20:39.715 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.08 s.
Wed May 08 11:20:40.279 CEST 2019: Structure is used: true
Wed May 08 11:20:40.294 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_62/1/F02.mol
Wed May 08 11:20:40.310 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.59 s.
Wed May 08 11:20:40.343 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:20:40.359 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:20:40.359 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:20:40.375 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:20:40.375 CEST 2019: Spectrum is suppressed.
Wed May 08 11:20:40.390 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:20:40.406 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:20:40.406 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:20:40.422 CEST 2019: Expected impurity: TSP
Wed May 08 11:20:40.437 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:20:40.454 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]
Wed May 08 11:20:40.454 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]
Wed May 08 11:20:40.470 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:20:40.470 CEST 2019: RMSD noise: 694.650 (10.098/9.598)
Wed May 08 11:20:40.485 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:20:40.501 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:20:40.501 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:20:40.548 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:20:40.751 CEST 2019: Number of Peaks: (47, 16)
Wed May 08 11:20:40.767 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Wed May 08 11:20:40.767 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:20:40.783 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:20:40.798 CEST 2019: Signal-to-Noise ratio: 1991.03 (1.558 ppm)
Wed May 08 11:20:40.814 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:20:40.814 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:20:40.829 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Wed May 08 11:20:40.892 CEST 2019: Number of Multiplets: 100
Wed May 08 11:20:40.909 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 11:20:41.018 CEST 2019: Number of Peak Cluster: 16
Wed May 08 11:20:41.034 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 11:20:41.252 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.22 s.
Wed May 08 11:20:41.645 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Wed May 08 11:20:41.691 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:20:41.707 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:20:41.723 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:20:41.723 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:20:41.738 CEST 2019: Number of consistent PNS: 15
Wed May 08 11:20:41.754 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:20:41.770 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 11:20:41.785 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:20:43.108 CEST 2019: Elapsed time for evaluation (BU Suite): 1.37 s.
Wed May 08 11:20:43.139 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:20:43.155 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:20:43.968 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 11:20:43.968 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:20:43.984 CEST 2019: CMC-q finished in 4.55 s.
