Wed May 08 09:36:54.478 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:36:54.484 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_93\1\pdata\1
Wed May 08 09:36:54.500 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:36:54.515 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:36:54.515 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:36:54.547 CEST 2019: No HSQC data available
Wed May 08 09:36:54.562 CEST 2019: No C13 data available
Wed May 08 09:36:54.578 CEST 2019: No HMBC data available
Wed May 08 09:36:54.584 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:36:54.631 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:36:54.970 CEST 2019: Structure is used: true
Wed May 08 09:36:54.988 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_93/1/72.mol
Wed May 08 09:36:54.988 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.36 s.
Wed May 08 09:36:55.004 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:36:55.019 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:36:55.019 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:36:55.035 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:36:55.035 CEST 2019: Spectrum is suppressed.
Wed May 08 09:36:55.050 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:36:55.050 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:36:55.066 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:36:55.066 CEST 2019: Expected impurity: TSP
Wed May 08 09:36:55.088 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:36:55.088 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 09:36:55.104 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 09:36:55.104 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:36:55.120 CEST 2019: RMSD noise: 680.003 (-0.812/-1.312)
Wed May 08 09:36:55.120 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:36:55.135 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:36:55.135 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:36:55.182 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:36:55.351 CEST 2019: Number of Peaks: (62, 19)
Wed May 08 09:36:55.367 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:36:55.367 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:36:55.383 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:36:55.389 CEST 2019: Signal-to-Noise ratio: 1785.61 (2.906 ppm)
Wed May 08 09:36:55.389 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:36:55.405 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:36:55.405 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:36:55.467 CEST 2019: Number of Multiplets: 144
Wed May 08 09:36:55.489 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 09:36:55.567 CEST 2019: Number of Peak Cluster: 18
Wed May 08 09:36:55.590 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:36:55.737 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Wed May 08 09:36:56.053 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Wed May 08 09:36:56.068 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:36:56.084 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:36:56.091 CEST 2019: Number of consistent PNS: 5
Wed May 08 09:36:56.106 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:36:56.122 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:36:58.840 CEST 2019: Number of ASL: 206
Wed May 08 09:36:58.856 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 2.73 s.
Wed May 08 09:36:59.342 CEST 2019: Elapsed time for evaluation (IN Suite): 0.48 s.
Wed May 08 09:36:59.357 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:36:59.373 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:36:59.955 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 09:36:59.970 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:36:59.970 CEST 2019: CMC-q finished in 5.49 s.
