Mon May 13 13:56:51.609 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:56:51.644 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A11\1\pdata\1
Mon May 13 13:56:51.664 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:56:51.669 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:56:51.679 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:56:51.709 CEST 2019: No HSQC data available
Mon May 13 13:56:51.729 CEST 2019: No C13 data available
Mon May 13 13:56:51.749 CEST 2019: No HMBC data available
Mon May 13 13:56:51.759 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:56:51.809 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:56:52.259 CEST 2019: Structure is used: true
Mon May 13 13:56:52.259 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A11/1/0110706037.mol
Mon May 13 13:56:52.269 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Mon May 13 13:56:52.289 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:56:52.299 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:56:52.309 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:56:52.319 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:56:52.329 CEST 2019: Spectrum is suppressed.
Mon May 13 13:56:52.329 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:56:52.339 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:56:52.349 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:56:52.369 CEST 2019: Expected impurity: TSP
Mon May 13 13:56:52.369 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:56:52.379 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]
Mon May 13 13:56:52.389 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]
Mon May 13 13:56:52.399 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:56:52.409 CEST 2019: RMSD noise: 651.667 (10.704/10.204)
Mon May 13 13:56:52.419 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:56:52.431 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:56:52.439 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:56:52.479 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:56:52.649 CEST 2019: Number of Peaks: (35, 12)
Mon May 13 13:56:52.669 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 13 13:56:52.679 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:56:52.689 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:56:52.699 CEST 2019: Signal-to-Noise ratio: 444.33 (7.391 ppm)
Mon May 13 13:56:52.709 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:56:52.719 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:52.729 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon May 13 13:56:52.759 CEST 2019: Number of Multiplets: 67
Mon May 13 13:56:52.759 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:56:52.829 CEST 2019: Number of Peak Cluster: 13
Mon May 13 13:56:52.839 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:56:52.889 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 13 13:56:53.169 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Mon May 13 13:56:53.179 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:56:53.194 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:56:53.209 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:56:53.219 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:56:53.229 CEST 2019: Number of consistent PNS: 30
Mon May 13 13:56:53.239 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:56:53.254 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:56:53.259 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:53.839 CEST 2019: Elapsed time for evaluation (BU Suite): 0.61 s.
Mon May 13 13:56:53.859 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:56:53.869 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:56:54.509 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Mon May 13 13:56:54.519 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:54.529 CEST 2019: CMC-q finished in 2.92 s.
