Wed May 08 09:31:21.508 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:31:21.524 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_74\1\pdata\1
Wed May 08 09:31:21.539 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:31:21.555 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:31:21.555 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:31:21.570 CEST 2019: No HSQC data available
Wed May 08 09:31:21.602 CEST 2019: No C13 data available
Wed May 08 09:31:21.617 CEST 2019: No HMBC data available
Wed May 08 09:31:21.617 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:31:21.664 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:31:22.290 CEST 2019: Structure is used: true
Wed May 08 09:31:22.306 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_74/1/15.mol
Wed May 08 09:31:22.322 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Wed May 08 09:31:22.337 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:31:22.337 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:31:22.353 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:31:22.353 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:31:22.368 CEST 2019: Spectrum is suppressed.
Wed May 08 09:31:22.368 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:31:22.384 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:31:22.384 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:31:22.400 CEST 2019: Expected impurity: TSP
Wed May 08 09:31:22.400 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:31:22.415 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 09:31:22.415 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 09:31:22.431 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:31:22.431 CEST 2019: RMSD noise: 721.445 (-0.203/-0.703)
Wed May 08 09:31:22.447 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:31:22.462 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:31:22.462 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:31:22.493 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:31:22.697 CEST 2019: Number of Peaks: (68, 28)
Wed May 08 09:31:22.697 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 09:31:22.712 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:31:22.724 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:31:22.731 CEST 2019: Signal-to-Noise ratio: 1789.24 (3.827 ppm)
Wed May 08 09:31:22.731 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:31:22.747 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:31:22.747 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Wed May 08 09:31:22.809 CEST 2019: Number of Multiplets: 160
Wed May 08 09:31:22.809 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 09:31:22.903 CEST 2019: Number of Peak Cluster: 18
Wed May 08 09:31:22.903 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:31:22.967 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 09:31:23.279 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Wed May 08 09:31:23.295 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:31:23.310 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:31:23.326 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:31:23.342 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:31:23.342 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:31:28.172 CEST 2019: Number of ASL: 402
Wed May 08 09:31:28.187 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.83 s.
Wed May 08 09:31:28.890 CEST 2019: Elapsed time for evaluation (IN Suite): 0.70 s.
Wed May 08 09:31:28.921 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:31:28.921 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:31:29.515 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 09:31:29.515 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:31:29.531 CEST 2019: CMC-q finished in 8.02 s.
