Wed May 08 09:12:59.574 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:12:59.589 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_3\1\pdata\1
Wed May 08 09:12:59.605 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:12:59.605 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:12:59.621 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:12:59.636 CEST 2019: No HSQC data available
Wed May 08 09:12:59.652 CEST 2019: No C13 data available
Wed May 08 09:12:59.683 CEST 2019: No HMBC data available
Wed May 08 09:12:59.683 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:12:59.730 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:13:00.184 CEST 2019: Structure is used: true
Wed May 08 09:13:00.200 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_3/1/17.mol
Wed May 08 09:13:00.200 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Wed May 08 09:13:00.215 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:13:00.231 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:13:00.231 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:13:00.247 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:13:00.247 CEST 2019: Spectrum is suppressed.
Wed May 08 09:13:00.262 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:13:00.262 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:13:00.278 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:13:00.294 CEST 2019: Expected impurity: TSP
Wed May 08 09:13:00.294 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:13:00.309 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 09:13:00.309 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 09:13:00.325 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:13:00.325 CEST 2019: RMSD noise: 628.142 (-0.812/-1.312)
Wed May 08 09:13:00.340 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:13:00.340 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:13:00.362 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:00.393 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:13:00.566 CEST 2019: Number of Peaks: (56, 14)
Wed May 08 09:13:00.597 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 09:13:00.597 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:13:00.613 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:00.613 CEST 2019: Signal-to-Noise ratio: 192.00 (1.261 ppm)
Wed May 08 09:13:00.629 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:13:00.629 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:00.644 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Wed May 08 09:13:00.676 CEST 2019: Number of Multiplets: 99
Wed May 08 09:13:00.691 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:13:00.754 CEST 2019: Number of Peak Cluster: 20
Wed May 08 09:13:00.769 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:13:00.801 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Wed May 08 09:13:01.147 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 09:13:01.163 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:13:01.179 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:13:01.179 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:13:01.194 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:13:01.217 CEST 2019: Number of consistent PNS: 45
Wed May 08 09:13:01.218 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:13:01.234 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:13:01.234 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:02.266 CEST 2019: Elapsed time for evaluation (BU Suite): 1.07 s.
Wed May 08 09:13:02.282 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:13:02.297 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:13:02.922 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.65 s.
Wed May 08 09:13:02.922 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:02.938 CEST 2019: CMC-q finished in 3.36 s.
