Wed May 08 09:25:07.011 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:25:07.011 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_50\1\pdata\1
Wed May 08 09:25:07.043 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:25:07.043 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:25:07.058 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:25:07.074 CEST 2019: No HSQC data available
Wed May 08 09:25:07.090 CEST 2019: No C13 data available
Wed May 08 09:25:07.105 CEST 2019: No HMBC data available
Wed May 08 09:25:07.121 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:25:07.199 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 09:25:07.652 CEST 2019: Structure is used: true
Wed May 08 09:25:07.667 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_50/1/13.mol
Wed May 08 09:25:07.667 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.46 s.
Wed May 08 09:25:07.683 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:25:07.699 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:25:07.699 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:25:07.714 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:25:07.730 CEST 2019: Spectrum is suppressed.
Wed May 08 09:25:07.730 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 09:25:07.746 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:25:07.746 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:25:07.761 CEST 2019: Expected impurity: TSP
Wed May 08 09:25:07.761 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:25:07.777 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 09:25:07.777 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 09:25:07.792 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:25:07.792 CEST 2019: RMSD noise: 689.547 (6.462/5.963)
Wed May 08 09:25:07.808 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:25:07.808 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:25:07.824 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:25:07.855 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:25:08.058 CEST 2019: Number of Peaks: (59, 22)
Wed May 08 09:25:08.091 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 09:25:08.091 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:25:08.106 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:25:08.106 CEST 2019: Signal-to-Noise ratio: 2523.44 (3.195 ppm)
Wed May 08 09:25:08.122 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:25:08.122 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:25:08.137 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Wed May 08 09:25:08.181 CEST 2019: Number of Multiplets: 122
Wed May 08 09:25:08.197 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 09:25:08.275 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:25:08.275 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:25:08.416 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 09:25:08.837 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Wed May 08 09:25:08.853 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:25:08.853 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:25:08.869 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:25:08.884 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:25:08.900 CEST 2019: Number of consistent PNS: 30
Wed May 08 09:25:08.900 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:25:08.916 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:25:08.947 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:25:09.974 CEST 2019: Elapsed time for evaluation (BU Suite): 1.09 s.
Wed May 08 09:25:10.005 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:25:10.005 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:25:10.603 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 09:25:10.618 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:25:10.618 CEST 2019: CMC-q finished in 3.61 s.
