Mon May 13 13:43:27.451 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:43:27.461 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_G01\1\pdata\1
Mon May 13 13:43:27.481 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:43:27.492 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:43:27.501 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:43:27.511 CEST 2019: No HSQC data available
Mon May 13 13:43:27.531 CEST 2019: No C13 data available
Mon May 13 13:43:27.551 CEST 2019: No HMBC data available
Mon May 13 13:43:27.561 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:43:27.601 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:43:27.921 CEST 2019: Structure is used: true
Mon May 13 13:43:27.951 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_G01/1/0110705783.mol
Mon May 13 13:43:27.961 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.34 s.
Mon May 13 13:43:27.971 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:43:27.985 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:43:27.991 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:43:27.991 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:43:28.001 CEST 2019: Spectrum is suppressed.
Mon May 13 13:43:28.011 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:43:28.021 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:43:28.031 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:43:28.041 CEST 2019: Expected impurity: TSP
Mon May 13 13:43:28.051 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:43:28.051 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 13:43:28.061 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 13:43:28.071 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:43:28.081 CEST 2019: RMSD noise: 669.096 (9.492/8.992)
Mon May 13 13:43:28.091 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:43:28.101 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:43:28.111 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:43:28.141 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:43:28.341 CEST 2019: Number of Peaks: (59, 4)
Mon May 13 13:43:28.341 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:43:28.351 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:43:28.362 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:43:28.371 CEST 2019: Signal-to-Noise ratio: 1494.65 (1.547 ppm)
Mon May 13 13:43:28.381 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:43:28.391 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:43:28.391 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:43:28.441 CEST 2019: Number of Multiplets: 101
Mon May 13 13:43:28.451 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:43:28.541 CEST 2019: Number of Peak Cluster: 23
Mon May 13 13:43:28.550 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 13:43:28.685 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 13 13:43:29.065 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Mon May 13 13:43:29.091 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:43:29.101 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:43:29.111 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:43:29.121 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:43:29.141 CEST 2019: Number of consistent PNS: 40
Mon May 13 13:43:29.151 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:43:29.171 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:43:29.171 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:43:30.261 CEST 2019: Elapsed time for evaluation (BU Suite): 1.13 s.
Mon May 13 13:43:30.291 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:43:30.291 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:43:30.881 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Mon May 13 13:43:30.881 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:43:30.891 CEST 2019: CMC-q finished in 3.44 s.
