Wed May 08 09:12:45.969 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:12:45.969 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_2\1\pdata\1
Wed May 08 09:12:45.985 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:12:46.001 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:12:46.016 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:12:46.032 CEST 2019: No HSQC data available
Wed May 08 09:12:46.048 CEST 2019: No C13 data available
Wed May 08 09:12:46.063 CEST 2019: No HMBC data available
Wed May 08 09:12:46.079 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:12:46.127 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:12:46.898 CEST 2019: Structure is used: true
Wed May 08 09:12:46.914 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_2/1/9.mol
Wed May 08 09:12:46.914 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.77 s.
Wed May 08 09:12:46.930 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:12:46.945 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:12:46.945 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:12:46.961 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:12:46.961 CEST 2019: Spectrum is suppressed.
Wed May 08 09:12:46.977 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:12:46.992 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:12:46.992 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:12:47.008 CEST 2019: Expected impurity: TSP
Wed May 08 09:12:47.008 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:12:47.023 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 09:12:47.023 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 09:12:47.039 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:12:47.039 CEST 2019: RMSD noise: 659.867 (5.250/4.751)
Wed May 08 09:12:47.055 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:12:47.070 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:12:47.070 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:12:47.117 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:12:47.367 CEST 2019: Number of Peaks: (59, 37)
Wed May 08 09:12:47.383 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Wed May 08 09:12:47.398 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:12:47.398 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:12:47.414 CEST 2019: Signal-to-Noise ratio: 1106.57 (0.826 ppm)
Wed May 08 09:12:47.414 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:12:47.430 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:12:47.430 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Wed May 08 09:12:47.492 CEST 2019: Number of Multiplets: 152
Wed May 08 09:12:47.508 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 09:12:47.884 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:12:47.899 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.38 s.
Wed May 08 09:12:47.919 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Wed May 08 09:12:48.283 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 09:12:48.305 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:12:48.320 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:12:48.336 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:12:48.352 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:12:48.352 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:12:48.505 CEST 2019: Number of ASL: 36
Wed May 08 09:12:48.521 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.16 s.
Wed May 08 09:12:49.508 CEST 2019: Elapsed time for evaluation (IN Suite): 0.98 s.
Wed May 08 09:12:49.523 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:12:50.172 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Wed May 08 09:12:50.172 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:12:50.187 CEST 2019: CMC-q finished in 4.22 s.
