Wed May 08 16:20:32.590 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:20:32.590 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F02\1\pdata\1
Wed May 08 16:20:32.621 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:20:32.621 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:20:32.637 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:20:32.684 CEST 2019: No HSQC data available
Wed May 08 16:20:32.715 CEST 2019: No C13 data available
Wed May 08 16:20:32.746 CEST 2019: No HMBC data available
Wed May 08 16:20:32.762 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:20:32.814 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:20:33.221 CEST 2019: Structure is used: true
Wed May 08 16:20:33.237 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F02/1/F02.mol
Wed May 08 16:20:33.253 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Wed May 08 16:20:33.268 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:20:33.290 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:20:33.290 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:20:33.305 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:20:33.305 CEST 2019: Spectrum is suppressed.
Wed May 08 16:20:33.321 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:20:33.337 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:20:33.337 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:20:33.352 CEST 2019: Expected impurity: TSP
Wed May 08 16:20:33.368 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:20:33.368 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 16:20:33.383 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 16:20:33.399 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:20:33.399 CEST 2019: RMSD noise: 680.460 (1.009/0.509)
Wed May 08 16:20:33.415 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:20:33.430 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Wed May 08 16:20:33.461 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:20:33.508 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:20:33.683 CEST 2019: Number of Peaks: (41, 14)
Wed May 08 16:20:33.699 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 16:20:33.699 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:20:33.714 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:20:33.730 CEST 2019: Signal-to-Noise ratio: 590.59 (7.372 ppm)
Wed May 08 16:20:33.730 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:20:33.746 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:20:33.761 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Wed May 08 16:20:33.793 CEST 2019: Number of Multiplets: 99
Wed May 08 16:20:33.808 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 16:20:33.871 CEST 2019: Number of Peak Cluster: 13
Wed May 08 16:20:33.886 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 16:20:33.933 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 16:20:34.308 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 16:20:34.339 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:20:34.354 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:20:34.370 CEST 2019: Number of consistent PNS: 4
Wed May 08 16:20:34.386 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:20:34.386 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:20:34.559 CEST 2019: Number of ASL: 81
Wed May 08 16:20:34.574 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.17 s.
Wed May 08 16:20:35.095 CEST 2019: Elapsed time for evaluation (IN Suite): 0.51 s.
Wed May 08 16:20:35.110 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:20:35.126 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:20:35.932 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 16:20:35.964 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:20:35.964 CEST 2019: CMC-q finished in 3.37 s.
