Wed May 08 12:02:18.021 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:02:18.021 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_41\1\pdata\1
Wed May 08 12:02:18.053 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:02:18.068 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:02:18.068 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:02:18.115 CEST 2019: No HSQC data available
Wed May 08 12:02:18.162 CEST 2019: No C13 data available
Wed May 08 12:02:18.195 CEST 2019: No HMBC data available
Wed May 08 12:02:18.210 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:02:18.276 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 12:02:18.824 CEST 2019: Structure is used: true
Wed May 08 12:02:18.855 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_41/1/D05.mol
Wed May 08 12:02:18.855 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.58 s.
Wed May 08 12:02:18.900 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:02:18.915 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:02:18.915 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:02:18.931 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:02:18.931 CEST 2019: Spectrum is suppressed.
Wed May 08 12:02:18.947 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:02:18.962 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:02:18.962 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:02:18.978 CEST 2019: Expected impurity: TSP
Wed May 08 12:02:18.993 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:02:19.009 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 12:02:19.009 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 12:02:19.025 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:02:19.040 CEST 2019: RMSD noise: 688.409 (5.250/4.751)
Wed May 08 12:02:19.040 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:02:19.056 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:02:19.072 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:02:19.104 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:02:19.594 CEST 2019: Number of Peaks: (99, 35)
Wed May 08 12:02:19.625 CEST 2019: Elapsed time for evaluation (PP Suite): 0.50 s.
Wed May 08 12:02:19.641 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:02:19.641 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:02:19.656 CEST 2019: Signal-to-Noise ratio: 1421.04 (1.165 ppm)
Wed May 08 12:02:19.656 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:02:19.672 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:02:19.687 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.81 s.
Wed May 08 12:02:19.923 CEST 2019: Number of Multiplets: 197
Wed May 08 12:02:19.939 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.24 s.
Wed May 08 12:02:20.096 CEST 2019: Number of Peak Cluster: 21
Wed May 08 12:02:20.111 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.17 s.
Wed May 08 12:02:20.283 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 12:02:20.830 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.55 s.
Wed May 08 12:02:20.845 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 12:02:20.861 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:02:20.892 CEST 2019: Number of consistent PNS: 7
Wed May 08 12:02:20.908 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:02:20.908 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 12:02:32.004 CEST 2019: Number of ASL: 603
Wed May 08 12:02:32.020 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.09 s.
Wed May 08 12:02:33.738 CEST 2019: Elapsed time for evaluation (IN Suite): 1.71 s.
Wed May 08 12:02:33.781 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:02:34.581 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 12:02:34.597 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:02:34.612 CEST 2019: CMC-q finished in 16.59 s.
