Wed May 08 09:32:23.654 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:32:23.670 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_78\1\pdata\1
Wed May 08 09:32:23.685 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:32:23.701 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:32:23.701 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:32:23.732 CEST 2019: No HSQC data available
Wed May 08 09:32:23.748 CEST 2019: No C13 data available
Wed May 08 09:32:23.763 CEST 2019: No HMBC data available
Wed May 08 09:32:23.763 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:32:23.810 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:32:24.343 CEST 2019: Structure is used: true
Wed May 08 09:32:24.374 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_78/1/47.mol
Wed May 08 09:32:24.374 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Wed May 08 09:32:24.389 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:32:24.405 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:32:24.405 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:32:24.421 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:32:24.421 CEST 2019: Spectrum is suppressed.
Wed May 08 09:32:24.436 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:32:24.436 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:32:24.452 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:32:24.468 CEST 2019: Expected impurity: TSP
Wed May 08 09:32:24.468 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:32:24.483 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 09:32:24.483 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 09:32:24.483 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:32:24.499 CEST 2019: RMSD noise: 661.564 (-0.203/-0.703)
Wed May 08 09:32:24.499 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:32:24.514 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:32:24.530 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:24.561 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:32:24.718 CEST 2019: Number of Peaks: (59, 13)
Wed May 08 09:32:24.733 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:32:24.749 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:32:24.749 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:24.764 CEST 2019: Signal-to-Noise ratio: 699.59 (7.279 ppm)
Wed May 08 09:32:24.780 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:32:24.780 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:24.796 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:32:24.827 CEST 2019: Number of Multiplets: 120
Wed May 08 09:32:24.842 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:32:24.921 CEST 2019: Number of Peak Cluster: 20
Wed May 08 09:32:24.921 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:32:25.061 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 09:32:25.389 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Wed May 08 09:32:25.405 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:32:25.420 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:32:25.420 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:32:25.436 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:32:25.452 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:32:30.565 CEST 2019: Number of ASL: 402
Wed May 08 09:32:30.581 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.12 s.
Wed May 08 09:32:31.143 CEST 2019: Elapsed time for evaluation (IN Suite): 0.55 s.
Wed May 08 09:32:31.159 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:32:31.175 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:32:31.787 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:32:31.787 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:31.802 CEST 2019: CMC-q finished in 8.15 s.
