Wed May 08 11:56:54.972 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:56:54.987 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_31\1\pdata\1
Wed May 08 11:56:55.003 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:56:55.018 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:56:55.034 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:56:55.098 CEST 2019: No HSQC data available
Wed May 08 11:56:55.145 CEST 2019: No C13 data available
Wed May 08 11:56:55.192 CEST 2019: No HMBC data available
Wed May 08 11:56:55.207 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:56:55.292 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 11:56:55.778 CEST 2019: Structure is used: true
Wed May 08 11:56:55.825 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_31/1/C07.mol
Wed May 08 11:56:55.825 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.53 s.
Wed May 08 11:56:55.867 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:56:55.883 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:56:55.883 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:56:55.898 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:56:55.898 CEST 2019: Spectrum is suppressed.
Wed May 08 11:56:55.914 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:56:55.930 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:56:55.930 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:56:55.945 CEST 2019: Expected impurity: TSP
Wed May 08 11:56:55.961 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:56:55.978 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 11:56:55.978 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 11:56:55.993 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:56:56.009 CEST 2019: RMSD noise: 701.815 (9.492/8.992)
Wed May 08 11:56:56.009 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:56:56.025 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:56:56.040 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:56:56.087 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:56:56.322 CEST 2019: Number of Peaks: (56, 22)
Wed May 08 11:56:56.367 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Wed May 08 11:56:56.367 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:56:56.383 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:56:56.399 CEST 2019: Signal-to-Noise ratio: 595.99 (1.008 ppm)
Wed May 08 11:56:56.414 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:56:56.414 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:56:56.430 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Wed May 08 11:56:56.514 CEST 2019: Number of Multiplets: 130
Wed May 08 11:56:56.523 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 11:56:56.624 CEST 2019: Number of Peak Cluster: 14
Wed May 08 11:56:56.636 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 11:56:56.667 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Wed May 08 11:56:57.179 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.50 s.
Wed May 08 11:56:57.210 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:56:57.222 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:56:57.240 CEST 2019: Number of consistent PNS: 5
Wed May 08 11:56:57.252 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:56:57.262 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:57:04.224 CEST 2019: Number of ASL: 242
Wed May 08 11:57:04.234 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 6.97 s.
Wed May 08 11:57:07.130 CEST 2019: Elapsed time for evaluation (IN Suite): 2.88 s.
Wed May 08 11:57:07.171 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:57:07.187 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:57:07.187 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:57:08.048 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.91 s.
Wed May 08 11:57:08.064 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:57:08.064 CEST 2019: CMC-q finished in 13.09 s.
