Wed May 08 16:22:01.570 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:22:01.585 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F07\1\pdata\1
Wed May 08 16:22:01.601 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:22:01.617 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:22:01.632 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:22:01.679 CEST 2019: No HSQC data available
Wed May 08 16:22:01.710 CEST 2019: No C13 data available
Wed May 08 16:22:01.742 CEST 2019: No HMBC data available
Wed May 08 16:22:01.757 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:22:01.835 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 16:22:02.276 CEST 2019: Structure is used: true
Wed May 08 16:22:02.291 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F07/1/F07.mol
Wed May 08 16:22:02.291 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Wed May 08 16:22:02.322 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:22:02.338 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:22:02.338 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:22:02.354 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:22:02.363 CEST 2019: Spectrum is suppressed.
Wed May 08 16:22:02.379 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:22:02.379 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:22:02.394 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:22:02.410 CEST 2019: Expected impurity: TSP
Wed May 08 16:22:02.426 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:22:02.426 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 16:22:02.441 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 16:22:02.457 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:22:02.457 CEST 2019: RMSD noise: 705.993 (5.856/5.357)
Wed May 08 16:22:02.472 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:22:02.488 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:22:02.504 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:02.550 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:22:02.806 CEST 2019: Number of Peaks: (50, 12)
Wed May 08 16:22:02.837 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Wed May 08 16:22:02.837 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:22:02.853 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:02.853 CEST 2019: Signal-to-Noise ratio: 729.37 (3.796 ppm)
Wed May 08 16:22:02.870 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:22:02.885 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:02.885 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Wed May 08 16:22:02.948 CEST 2019: Number of Multiplets: 85
Wed May 08 16:22:02.963 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 16:22:03.042 CEST 2019: Number of Peak Cluster: 19
Wed May 08 16:22:03.057 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:22:03.135 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Wed May 08 16:22:03.586 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.44 s.
Wed May 08 16:22:03.617 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:22:03.617 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:22:03.633 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:22:03.648 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:22:03.664 CEST 2019: Number of consistent PNS: 20
Wed May 08 16:22:03.680 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:22:03.695 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:22:03.695 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:04.699 CEST 2019: Elapsed time for evaluation (BU Suite): 1.05 s.
Wed May 08 16:22:04.730 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:22:04.746 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:22:05.425 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.71 s.
Wed May 08 16:22:05.440 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:05.440 CEST 2019: CMC-q finished in 3.87 s.
