Wed May 08 16:05:39.114 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:05:39.114 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_B07\1\pdata\1
Wed May 08 16:05:39.129 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:05:39.145 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:05:39.160 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:05:39.207 CEST 2019: No HSQC data available
Wed May 08 16:05:39.239 CEST 2019: No C13 data available
Wed May 08 16:05:39.285 CEST 2019: No HMBC data available
Wed May 08 16:05:39.301 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:05:39.358 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:05:40.219 CEST 2019: Structure is used: true
Wed May 08 16:05:40.234 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_B07/1/B07.mol
Wed May 08 16:05:40.234 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.85 s.
Wed May 08 16:05:40.266 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:05:40.266 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:05:40.281 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:05:40.297 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:05:40.297 CEST 2019: Spectrum is suppressed.
Wed May 08 16:05:40.313 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:05:40.328 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:05:40.328 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:05:40.344 CEST 2019: Expected impurity: TSP
Wed May 08 16:05:40.359 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:05:40.359 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 16:05:40.375 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 16:05:40.391 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:05:40.391 CEST 2019: RMSD noise: 690.151 (6.462/5.963)
Wed May 08 16:05:40.406 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:05:40.422 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:05:40.422 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:05:40.469 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:05:40.703 CEST 2019: Number of Peaks: (52, 13)
Wed May 08 16:05:40.703 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 16:05:40.719 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:05:40.719 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:05:40.734 CEST 2019: Signal-to-Noise ratio: 1602.12 (1.054 ppm)
Wed May 08 16:05:40.750 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:05:40.750 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:05:40.766 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 16:05:40.828 CEST 2019: Number of Multiplets: 97
Wed May 08 16:05:40.844 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 16:05:40.953 CEST 2019: Number of Peak Cluster: 15
Wed May 08 16:05:40.953 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 16:05:41.109 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Wed May 08 16:05:41.531 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Wed May 08 16:05:41.547 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:05:41.562 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:05:41.578 CEST 2019: Number of consistent PNS: 7
Wed May 08 16:05:41.593 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:05:41.609 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:05:59.652 CEST 2019: Number of ASL: 116
Wed May 08 16:05:59.667 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 18.05 s.
Wed May 08 16:06:00.878 CEST 2019: Elapsed time for evaluation (IN Suite): 1.20 s.
Wed May 08 16:06:00.909 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:06:00.909 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:06:01.801 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.92 s.
Wed May 08 16:06:01.816 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:06:01.848 CEST 2019: CMC-q finished in 22.73 s.
