Wed May 08 09:25:58.264 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:25:58.279 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_54\1\pdata\1
Wed May 08 09:25:58.295 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:25:58.295 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:25:58.311 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:25:58.326 CEST 2019: No HSQC data available
Wed May 08 09:25:58.342 CEST 2019: No C13 data available
Wed May 08 09:25:58.373 CEST 2019: No HMBC data available
Wed May 08 09:25:58.373 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:25:58.420 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:25:58.953 CEST 2019: Structure is used: true
Wed May 08 09:25:58.984 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_54/1/45.mol
Wed May 08 09:25:58.984 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Wed May 08 09:25:58.999 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:25:59.015 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:25:59.015 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:25:59.031 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:25:59.031 CEST 2019: Spectrum is suppressed.
Wed May 08 09:25:59.031 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:25:59.046 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:25:59.062 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:25:59.062 CEST 2019: Expected impurity: TSP
Wed May 08 09:25:59.077 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:25:59.077 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 09:25:59.093 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 09:25:59.093 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:25:59.109 CEST 2019: RMSD noise: 682.977 (1.009/0.509)
Wed May 08 09:25:59.109 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:25:59.124 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:25:59.140 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:25:59.171 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:25:59.313 CEST 2019: Number of Peaks: (36, 5)
Wed May 08 09:25:59.313 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Wed May 08 09:25:59.329 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:25:59.329 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:25:59.345 CEST 2019: Signal-to-Noise ratio: 194.53 (2.329 ppm)
Wed May 08 09:25:59.360 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:25:59.360 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:25:59.376 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Wed May 08 09:25:59.391 CEST 2019: Number of Multiplets: 59
Wed May 08 09:25:59.407 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 09:25:59.455 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:25:59.471 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:25:59.518 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 09:25:59.815 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 09:25:59.862 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:25:59.862 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:25:59.877 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:25:59.877 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:25:59.893 CEST 2019: Number of consistent PNS: 35
Wed May 08 09:25:59.908 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:25:59.908 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:25:59.924 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:26:00.378 CEST 2019: Elapsed time for evaluation (BU Suite): 0.48 s.
Wed May 08 09:26:00.394 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:26:00.410 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:26:01.006 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:26:01.022 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:26:01.022 CEST 2019: CMC-q finished in 2.76 s.
