Wed May 08 10:52:00.211 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:52:00.211 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_41\1\pdata\1
Wed May 08 10:52:00.242 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:52:00.258 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:52:00.258 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:52:00.305 CEST 2019: No HSQC data available
Wed May 08 10:52:00.351 CEST 2019: No C13 data available
Wed May 08 10:52:00.398 CEST 2019: No HMBC data available
Wed May 08 10:52:00.414 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:52:00.476 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:52:01.134 CEST 2019: Structure is used: true
Wed May 08 10:52:01.165 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_41/1/D05.mol
Wed May 08 10:52:01.165 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.69 s.
Wed May 08 10:52:01.198 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:52:01.214 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:52:01.214 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:52:01.229 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:52:01.229 CEST 2019: Spectrum is suppressed.
Wed May 08 10:52:01.245 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:52:01.261 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:52:01.261 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:52:01.276 CEST 2019: Expected impurity: TSP
Wed May 08 10:52:01.292 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:52:01.307 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 10:52:01.307 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 10:52:01.323 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:52:01.323 CEST 2019: RMSD noise: 632.322 (-0.812/-1.312)
Wed May 08 10:52:01.339 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:52:01.354 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:52:01.370 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:52:01.401 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:52:01.717 CEST 2019: Number of Peaks: (63, 24)
Wed May 08 10:52:01.733 CEST 2019: Elapsed time for evaluation (PP Suite): 0.32 s.
Wed May 08 10:52:01.749 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:52:01.764 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:52:01.764 CEST 2019: Signal-to-Noise ratio: 2509.75 (2.283 ppm)
Wed May 08 10:52:01.780 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:52:01.795 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:52:01.795 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.62 s.
Wed May 08 10:52:01.905 CEST 2019: Number of Multiplets: 150
Wed May 08 10:52:01.905 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Wed May 08 10:52:02.030 CEST 2019: Number of Peak Cluster: 15
Wed May 08 10:52:02.045 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 10:52:02.139 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Wed May 08 10:52:02.651 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.50 s.
Wed May 08 10:52:02.903 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.25 s.
Wed May 08 10:52:02.934 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:52:02.950 CEST 2019: Number of consistent PNS: 0
Wed May 08 10:52:02.965 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:52:02.981 CEST 2019: Number of consistent PNS: 20
Wed May 08 10:52:02.997 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:52:03.045 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Wed May 08 10:52:03.060 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:52:04.860 CEST 2019: Elapsed time for evaluation (BU Suite): 1.89 s.
Wed May 08 10:52:04.898 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 10:52:04.898 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 10:52:05.702 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 10:52:05.718 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:52:05.735 CEST 2019: CMC-q finished in 5.52 s.
