Wed May 08 16:16:39.956 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:16:39.956 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_E03\1\pdata\1
Wed May 08 16:16:39.987 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:16:40.003 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:16:40.003 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:16:40.066 CEST 2019: No HSQC data available
Wed May 08 16:16:40.112 CEST 2019: No C13 data available
Wed May 08 16:16:40.161 CEST 2019: No HMBC data available
Wed May 08 16:16:40.176 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:16:40.241 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:16:41.055 CEST 2019: Structure is used: true
Wed May 08 16:16:41.086 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_E03/1/E03.mol
Wed May 08 16:16:41.086 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.84 s.
Wed May 08 16:16:41.117 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:16:41.117 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:16:41.133 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:16:41.149 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:16:41.149 CEST 2019: Spectrum is suppressed.
Wed May 08 16:16:41.164 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:16:41.180 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:16:41.180 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:16:41.196 CEST 2019: Expected impurity: TSP
Wed May 08 16:16:41.211 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:16:41.211 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 16:16:41.227 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 16:16:41.242 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:16:41.242 CEST 2019: RMSD noise: 648.358 (5.250/4.751)
Wed May 08 16:16:41.258 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:16:41.275 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:16:41.291 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:16:41.322 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:16:41.651 CEST 2019: Number of Peaks: (88, 23)
Wed May 08 16:16:41.651 CEST 2019: Elapsed time for evaluation (PP Suite): 0.32 s.
Wed May 08 16:16:41.667 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:16:41.683 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:16:41.683 CEST 2019: Signal-to-Noise ratio: 2086.28 (2.128 ppm)
Wed May 08 16:16:41.698 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:16:41.714 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:16:41.714 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.62 s.
Wed May 08 16:16:41.839 CEST 2019: Number of Multiplets: 216
Wed May 08 16:16:41.854 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.13 s.
Wed May 08 16:16:42.011 CEST 2019: Number of Peak Cluster: 24
Wed May 08 16:16:42.026 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Wed May 08 16:16:42.167 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 16:16:42.635 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Wed May 08 16:16:42.667 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:16:42.682 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 16:16:42.714 CEST 2019: Number of consistent PNS: 5
Wed May 08 16:16:42.714 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:16:42.729 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:16:55.891 CEST 2019: Number of ASL: 788
Wed May 08 16:16:55.906 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 13.16 s.
Wed May 08 16:16:56.803 CEST 2019: Elapsed time for evaluation (IN Suite): 0.89 s.
Wed May 08 16:16:56.835 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:16:57.681 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 16:16:57.681 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:16:57.696 CEST 2019: CMC-q finished in 17.74 s.
