Wed May 08 11:37:52.376 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:37:52.376 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_93\1\pdata\1
Wed May 08 11:37:52.392 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:37:52.408 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:37:52.423 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:37:52.470 CEST 2019: No HSQC data available
Wed May 08 11:37:52.501 CEST 2019: No C13 data available
Wed May 08 11:37:52.533 CEST 2019: No HMBC data available
Wed May 08 11:37:52.548 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:37:52.611 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:37:53.081 CEST 2019: Structure is used: true
Wed May 08 11:37:53.112 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_93/1/H09.mol
Wed May 08 11:37:53.127 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Wed May 08 11:37:53.164 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:37:53.179 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:37:53.179 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:37:53.195 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:37:53.195 CEST 2019: Spectrum is suppressed.
Wed May 08 11:37:53.211 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:37:53.226 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:37:53.226 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:37:53.242 CEST 2019: Expected impurity: TSP
Wed May 08 11:37:53.258 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:37:53.258 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 11:37:53.275 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 11:37:53.290 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:37:53.290 CEST 2019: RMSD noise: 633.314 (-0.203/-0.703)
Wed May 08 11:37:53.306 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:37:53.321 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:37:53.321 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:37:53.368 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:37:53.806 CEST 2019: Number of Peaks: (58, 27)
Wed May 08 11:37:53.837 CEST 2019: Elapsed time for evaluation (PP Suite): 0.46 s.
Wed May 08 11:37:53.853 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:37:53.853 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:37:53.868 CEST 2019: Signal-to-Noise ratio: 4003.26 (1.752 ppm)
Wed May 08 11:37:53.884 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:37:53.884 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:37:53.899 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.77 s.
Wed May 08 11:37:53.962 CEST 2019: Number of Multiplets: 148
Wed May 08 11:37:53.978 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 11:37:54.102 CEST 2019: Number of Peak Cluster: 20
Wed May 08 11:37:54.102 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 11:37:54.212 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Wed May 08 11:37:54.571 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 11:37:54.587 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:37:54.602 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:37:54.618 CEST 2019: Number of consistent PNS: 3
Wed May 08 11:37:54.618 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:37:54.649 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:37:54.712 CEST 2019: Number of ASL: 8
Wed May 08 11:37:54.712 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Wed May 08 11:37:55.243 CEST 2019: Elapsed time for evaluation (IN Suite): 0.51 s.
Wed May 08 11:37:55.276 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:37:55.292 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:37:56.074 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 11:37:56.074 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:37:56.090 CEST 2019: CMC-q finished in 3.71 s.
