Mon May 06 22:57:57.424 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:57:57.440 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\63\pdata\1
Mon May 06 22:57:57.456 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:57:57.473 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:57:57.489 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:57:57.504 CEST 2019: No HSQC data available
Mon May 06 22:57:57.520 CEST 2019: No C13 data available
Mon May 06 22:57:57.551 CEST 2019: No HMBC data available
Mon May 06 22:57:57.567 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:57:57.614 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:57:58.037 CEST 2019: Structure is used: true
Mon May 06 22:57:58.037 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/63/F03.mol
Mon May 06 22:57:58.053 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Mon May 06 22:57:58.068 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:57:58.084 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:57:58.084 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:57:58.099 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:57:58.117 CEST 2019: Spectrum is suppressed.
Mon May 06 22:57:58.117 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:57:58.133 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:57:58.149 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:57:58.164 CEST 2019: Expected impurity: TSP
Mon May 06 22:57:58.164 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:57:58.180 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 06 22:57:58.195 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 06 22:57:58.195 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:57:58.211 CEST 2019: RMSD noise: 691.921 (-0.812/-1.312)
Mon May 06 22:57:58.227 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:57:58.242 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:57:58.242 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:57:58.305 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Mon May 06 22:57:58.603 CEST 2019: Number of Peaks: (66, 21)
Mon May 06 22:57:58.634 CEST 2019: Elapsed time for evaluation (PP Suite): 0.33 s.
Mon May 06 22:57:58.650 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:57:58.665 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:57:58.665 CEST 2019: Signal-to-Noise ratio: 1462.17 (1.812 ppm)
Mon May 06 22:57:58.681 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:57:58.697 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:57:58.697 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.64 s.
Mon May 06 22:57:58.745 CEST 2019: Number of Multiplets: 106
Mon May 06 22:57:58.761 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 22:57:58.886 CEST 2019: Number of Peak Cluster: 25
Mon May 06 22:57:58.901 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Mon May 06 22:57:59.028 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 06 22:57:59.418 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.39 s.
Mon May 06 22:57:59.434 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:57:59.449 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 22:57:59.465 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:57:59.481 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:57:59.496 CEST 2019: Number of consistent PNS: 40
Mon May 06 22:57:59.512 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:57:59.527 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:57:59.543 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:58:00.293 CEST 2019: Elapsed time for evaluation (BU Suite): 0.80 s.
Mon May 06 22:58:00.324 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:58:00.324 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:58:01.105 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 22:58:01.121 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:58:01.136 CEST 2019: CMC-q finished in 3.71 s.
