Mon May 06 23:01:05.510 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:01:05.525 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\71\pdata\1
Mon May 06 23:01:05.541 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:01:05.556 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:01:05.556 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:01:05.588 CEST 2019: No HSQC data available
Mon May 06 23:01:05.603 CEST 2019: No C13 data available
Mon May 06 23:01:05.619 CEST 2019: No HMBC data available
Mon May 06 23:01:05.635 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:01:05.691 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:01:06.365 CEST 2019: Structure is used: true
Mon May 06 23:01:06.396 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/71/F11.mol
Mon May 06 23:01:06.396 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.71 s.
Mon May 06 23:01:06.427 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:01:06.427 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:01:06.443 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:01:06.458 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:01:06.458 CEST 2019: Spectrum is suppressed.
Mon May 06 23:01:06.474 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:01:06.474 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:01:06.489 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:01:06.505 CEST 2019: Expected impurity: TSP
Mon May 06 23:01:06.521 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:01:06.521 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 23:01:06.536 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 23:01:06.552 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:01:06.552 CEST 2019: RMSD noise: 647.898 (10.704/10.204)
Mon May 06 23:01:06.568 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:01:06.583 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:01:06.583 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:06.630 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:01:06.864 CEST 2019: Number of Peaks: (51, 15)
Mon May 06 23:01:06.896 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Mon May 06 23:01:06.911 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:01:06.911 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:06.927 CEST 2019: Signal-to-Noise ratio: 378.69 (7.337 ppm)
Mon May 06 23:01:06.943 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:01:06.943 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:06.958 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Mon May 06 23:01:07.021 CEST 2019: Number of Multiplets: 139
Mon May 06 23:01:07.036 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 23:01:07.146 CEST 2019: Number of Peak Cluster: 19
Mon May 06 23:01:07.161 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 06 23:01:07.224 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 23:01:07.645 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 06 23:01:07.677 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:01:07.692 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:01:07.692 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:01:07.708 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:01:07.724 CEST 2019: Number of consistent PNS: 25
Mon May 06 23:01:07.739 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:01:07.786 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Mon May 06 23:01:07.786 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:09.148 CEST 2019: Elapsed time for evaluation (BU Suite): 1.43 s.
Mon May 06 23:01:09.179 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:01:09.195 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:01:09.915 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 06 23:01:09.931 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:09.931 CEST 2019: CMC-q finished in 4.42 s.
