Wed May 08 10:43:19.961 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:43:19.961 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_13\1\pdata\1
Wed May 08 10:43:19.993 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:43:19.993 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:43:20.008 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:43:20.071 CEST 2019: No HSQC data available
Wed May 08 10:43:20.102 CEST 2019: No C13 data available
Wed May 08 10:43:20.133 CEST 2019: No HMBC data available
Wed May 08 10:43:20.149 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:43:20.211 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 10:43:20.858 CEST 2019: Structure is used: true
Wed May 08 10:43:20.873 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_13/1/B01.mol
Wed May 08 10:43:20.889 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Wed May 08 10:43:20.910 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:43:20.910 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:43:20.926 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:43:20.942 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:43:20.942 CEST 2019: Spectrum is suppressed.
Wed May 08 10:43:20.957 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:43:20.957 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:43:20.973 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:43:20.989 CEST 2019: Expected impurity: TSP
Wed May 08 10:43:20.989 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:43:21.004 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 10:43:21.020 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 10:43:21.020 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:43:21.035 CEST 2019: RMSD noise: 738.124 (3.433/2.933)
Wed May 08 10:43:21.051 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:43:21.051 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:43:21.067 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:43:21.115 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:43:21.255 CEST 2019: Number of Peaks: (28, 22)
Wed May 08 10:43:21.255 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Wed May 08 10:43:21.271 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:43:21.271 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:43:21.287 CEST 2019: Signal-to-Noise ratio: 6510.30 (2.009 ppm)
Wed May 08 10:43:21.302 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:43:21.302 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:43:21.318 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Wed May 08 10:43:21.333 CEST 2019: Number of Multiplets: 57
Wed May 08 10:43:21.352 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 10:43:21.399 CEST 2019: Number of Peak Cluster: 10
Wed May 08 10:43:21.415 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 10:43:21.446 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 10:43:21.758 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 10:43:21.805 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 10:43:21.805 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:43:21.821 CEST 2019: Number of consistent PNS: 3
Wed May 08 10:43:21.836 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:43:21.836 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:43:26.099 CEST 2019: Number of ASL: 181
Wed May 08 10:43:26.115 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.26 s.
Wed May 08 10:43:26.708 CEST 2019: Elapsed time for evaluation (IN Suite): 0.59 s.
Wed May 08 10:43:26.744 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:43:26.760 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:43:27.560 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 10:43:27.575 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:43:27.591 CEST 2019: CMC-q finished in 7.63 s.
