Mon May 13 14:05:49.258 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:05:49.268 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_D05\1\pdata\1
Mon May 13 14:05:49.290 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:05:49.298 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:05:49.318 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:05:49.338 CEST 2019: No HSQC data available
Mon May 13 14:05:49.358 CEST 2019: No C13 data available
Mon May 13 14:05:49.390 CEST 2019: No HMBC data available
Mon May 13 14:05:49.398 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:05:49.448 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:05:49.998 CEST 2019: Structure is used: true
Mon May 13 14:05:50.008 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_D05/1/0110706004.mol
Mon May 13 14:05:50.018 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Mon May 13 14:05:50.038 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:05:50.048 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:05:50.058 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:05:50.064 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:05:50.084 CEST 2019: Spectrum is suppressed.
Mon May 13 14:05:50.118 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.06 s.
Mon May 13 14:05:50.128 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:05:50.138 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:05:50.157 CEST 2019: Expected impurity: TSP
Mon May 13 14:05:50.167 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:05:50.175 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 14:05:50.187 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 14:05:50.197 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:05:50.207 CEST 2019: RMSD noise: 654.358 (10.704/10.204)
Mon May 13 14:05:50.218 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:05:50.228 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:05:50.238 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:05:50.288 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:05:50.548 CEST 2019: Number of Peaks: (69, 23)
Mon May 13 14:05:50.558 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 13 14:05:50.568 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:05:50.579 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:05:50.588 CEST 2019: Signal-to-Noise ratio: 535.59 (4.109 ppm)
Mon May 13 14:05:50.598 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:05:50.608 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:05:50.618 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Mon May 13 14:05:50.698 CEST 2019: Number of Multiplets: 177
Mon May 13 14:05:50.708 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 13 14:05:50.848 CEST 2019: Number of Peak Cluster: 21
Mon May 13 14:05:50.858 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Mon May 13 14:05:50.988 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Mon May 13 14:05:51.398 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Mon May 13 14:05:51.458 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon May 13 14:05:51.476 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:05:51.488 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:05:51.498 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:05:51.538 CEST 2019: Number of consistent PNS: 55
Mon May 13 14:05:51.548 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 13 14:05:51.588 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Mon May 13 14:05:51.598 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:05:52.658 CEST 2019: Elapsed time for evaluation (BU Suite): 1.15 s.
Mon May 13 14:05:52.688 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:05:52.698 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:05:53.553 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.88 s.
Mon May 13 14:05:53.558 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:05:53.568 CEST 2019: CMC-q finished in 4.31 s.
