Mon May 06 22:37:00.470 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:37:00.485 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\1\pdata\1
Mon May 06 22:37:00.501 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:37:00.517 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:37:00.517 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:37:00.548 CEST 2019: No HSQC data available
Mon May 06 22:37:00.563 CEST 2019: No C13 data available
Mon May 06 22:37:00.595 CEST 2019: No HMBC data available
Mon May 06 22:37:00.610 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:37:00.659 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:37:00.973 CEST 2019: Structure is used: true
Mon May 06 22:37:01.004 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/1/A01.mol
Mon May 06 22:37:01.020 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.35 s.
Mon May 06 22:37:01.035 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:37:01.035 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:37:01.051 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:37:01.067 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:37:01.067 CEST 2019: Spectrum is suppressed.
Mon May 06 22:37:01.080 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:37:01.096 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:37:01.111 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:37:01.127 CEST 2019: Expected impurity: TSP
Mon May 06 22:37:01.143 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:37:01.143 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 22:37:01.158 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 22:37:01.174 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:37:01.174 CEST 2019: RMSD noise: 694.808 (5.250/4.751)
Mon May 06 22:37:01.190 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:37:01.205 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:37:01.205 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:37:01.252 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:37:01.503 CEST 2019: Number of Peaks: (61, 19)
Mon May 06 22:37:01.519 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 06 22:37:01.535 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:37:01.535 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:37:01.550 CEST 2019: Signal-to-Noise ratio: 1043.23 (3.677 ppm)
Mon May 06 22:37:01.566 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:37:01.566 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:37:01.581 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Mon May 06 22:37:01.628 CEST 2019: Number of Multiplets: 88
Mon May 06 22:37:01.628 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 22:37:01.753 CEST 2019: Number of Peak Cluster: 28
Mon May 06 22:37:01.785 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 06 22:37:01.847 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 06 22:37:02.284 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.44 s.
Mon May 06 22:37:02.300 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 22:37:02.316 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:37:02.331 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:37:02.347 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:37:02.363 CEST 2019: Number of consistent PNS: 60
Mon May 06 22:37:02.378 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 22:37:02.394 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:37:02.409 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:37:03.600 CEST 2019: Elapsed time for evaluation (BU Suite): 1.24 s.
Mon May 06 22:37:03.615 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:37:03.631 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:37:04.443 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Mon May 06 22:37:04.459 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:37:04.474 CEST 2019: CMC-q finished in 4.00 s.
