Wed May 08 16:13:28.846 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:13:28.846 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_D07\1\pdata\1
Wed May 08 16:13:28.878 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:13:28.893 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:13:28.893 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:13:28.940 CEST 2019: No HSQC data available
Wed May 08 16:13:28.971 CEST 2019: No C13 data available
Wed May 08 16:13:29.020 CEST 2019: No HMBC data available
Wed May 08 16:13:29.031 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:13:29.094 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 16:13:29.926 CEST 2019: Structure is used: true
Wed May 08 16:13:29.957 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_D07/1/D07.mol
Wed May 08 16:13:29.957 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.86 s.
Wed May 08 16:13:29.988 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:13:30.004 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:13:30.004 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:13:30.020 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:13:30.020 CEST 2019: Spectrum is suppressed.
Wed May 08 16:13:30.035 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:13:30.051 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:13:30.051 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:13:30.066 CEST 2019: Expected impurity: TSP
Wed May 08 16:13:30.082 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:13:30.098 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 16:13:30.098 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 16:13:30.113 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:13:30.113 CEST 2019: RMSD noise: 649.351 (5.250/4.751)
Wed May 08 16:13:30.129 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:13:30.152 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Wed May 08 16:13:30.153 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:13:30.220 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:13:30.534 CEST 2019: Number of Peaks: (53, 21)
Wed May 08 16:13:30.581 CEST 2019: Elapsed time for evaluation (PP Suite): 0.34 s.
Wed May 08 16:13:30.581 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:13:30.596 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:13:30.596 CEST 2019: Signal-to-Noise ratio: 4430.53 (2.828 ppm)
Wed May 08 16:13:30.612 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:13:30.628 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:13:30.628 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.66 s.
Wed May 08 16:13:30.706 CEST 2019: Number of Multiplets: 135
Wed May 08 16:13:30.721 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 16:13:30.848 CEST 2019: Number of Peak Cluster: 17
Wed May 08 16:13:30.848 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 16:13:31.083 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.22 s.
Wed May 08 16:13:31.521 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Wed May 08 16:13:31.568 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 16:13:31.568 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:13:31.583 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:13:31.599 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:13:31.614 CEST 2019: Number of consistent PNS: 15
Wed May 08 16:13:31.630 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:13:31.661 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 16:13:31.677 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:13:32.867 CEST 2019: Elapsed time for evaluation (BU Suite): 1.25 s.
Wed May 08 16:13:32.898 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:13:32.914 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:13:33.634 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Wed May 08 16:13:33.649 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:13:33.665 CEST 2019: CMC-q finished in 4.82 s.
