Wed May 08 10:46:52.750 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:46:52.766 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_26\1\pdata\1
Wed May 08 10:46:52.782 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:46:52.797 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:46:52.813 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:46:52.851 CEST 2019: No HSQC data available
Wed May 08 10:46:52.898 CEST 2019: No C13 data available
Wed May 08 10:46:52.935 CEST 2019: No HMBC data available
Wed May 08 10:46:52.950 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:46:53.013 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:46:53.452 CEST 2019: Structure is used: true
Wed May 08 10:46:53.483 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_26/1/C02.mol
Wed May 08 10:46:53.483 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Wed May 08 10:46:53.512 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:46:53.528 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:46:53.536 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:46:53.536 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:46:53.552 CEST 2019: Spectrum is suppressed.
Wed May 08 10:46:53.552 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:46:53.567 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:46:53.583 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:46:53.599 CEST 2019: Expected impurity: TSP
Wed May 08 10:46:53.599 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:46:53.614 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 10:46:53.630 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 10:46:53.636 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:46:53.636 CEST 2019: RMSD noise: 683.762 (-0.203/-0.703)
Wed May 08 10:46:53.652 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:46:53.668 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:46:53.683 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:46:53.714 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:46:53.937 CEST 2019: Number of Peaks: (58, 15)
Wed May 08 10:46:53.937 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 10:46:53.952 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:46:53.968 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:46:53.968 CEST 2019: Signal-to-Noise ratio: 2352.59 (3.915 ppm)
Wed May 08 10:46:53.984 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:46:53.999 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:46:53.999 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Wed May 08 10:46:54.053 CEST 2019: Number of Multiplets: 140
Wed May 08 10:46:54.068 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 10:46:54.184 CEST 2019: Number of Peak Cluster: 21
Wed May 08 10:46:54.216 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 10:46:54.410 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Wed May 08 10:46:54.798 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Wed May 08 10:46:54.814 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 10:46:54.831 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:46:54.846 CEST 2019: Number of consistent PNS: 0
Wed May 08 10:46:54.846 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:46:54.880 CEST 2019: Number of consistent PNS: 35
Wed May 08 10:46:54.880 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:46:54.927 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Wed May 08 10:46:54.943 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:46:55.532 CEST 2019: Elapsed time for evaluation (BU Suite): 0.66 s.
Wed May 08 10:46:55.560 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 10:46:55.570 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 10:46:56.363 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 10:46:56.381 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:46:56.381 CEST 2019: CMC-q finished in 3.63 s.
