Wed May 08 16:17:36.249 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:17:36.249 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_E05\1\pdata\1
Wed May 08 16:17:36.280 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:17:36.296 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:17:36.296 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:17:36.374 CEST 2019: No HSQC data available
Wed May 08 16:17:36.406 CEST 2019: No C13 data available
Wed May 08 16:17:36.438 CEST 2019: No HMBC data available
Wed May 08 16:17:36.453 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:17:36.532 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 16:17:37.115 CEST 2019: Structure is used: true
Wed May 08 16:17:37.130 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_E05/1/E05.mol
Wed May 08 16:17:37.146 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.60 s.
Wed May 08 16:17:37.162 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:17:37.177 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:17:37.193 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:17:37.193 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:17:37.209 CEST 2019: Spectrum is suppressed.
Wed May 08 16:17:37.224 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:17:37.224 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:17:37.240 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:17:37.255 CEST 2019: Expected impurity: TSP
Wed May 08 16:17:37.271 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:17:37.271 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 16:17:37.287 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 16:17:37.287 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:17:37.310 CEST 2019: RMSD noise: 702.260 (9.492/8.992)
Wed May 08 16:17:37.312 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:17:37.327 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:17:37.343 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:17:37.380 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:17:37.552 CEST 2019: Number of Peaks: (34, 12)
Wed May 08 16:17:37.568 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 16:17:37.583 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:17:37.599 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:17:37.599 CEST 2019: Signal-to-Noise ratio: 1222.40 (3.443 ppm)
Wed May 08 16:17:37.615 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:17:37.630 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:17:37.630 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Wed May 08 16:17:37.661 CEST 2019: Number of Multiplets: 61
Wed May 08 16:17:37.661 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 16:17:37.740 CEST 2019: Number of Peak Cluster: 19
Wed May 08 16:17:37.755 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 16:17:37.803 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 16:17:38.163 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 16:17:38.178 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:17:38.194 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:17:38.209 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:17:38.225 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:17:38.225 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:17:38.256 CEST 2019: Number of ASL: 4
Wed May 08 16:17:38.272 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Wed May 08 16:17:38.584 CEST 2019: Elapsed time for evaluation (IN Suite): 0.31 s.
Wed May 08 16:17:38.616 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:17:38.616 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:17:39.431 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 16:17:39.446 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:17:39.446 CEST 2019: CMC-q finished in 3.20 s.
