Wed May 08 11:55:31.060 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:55:31.076 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_29\1\pdata\1
Wed May 08 11:55:31.091 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:55:31.108 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:55:31.124 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:55:31.171 CEST 2019: No HSQC data available
Wed May 08 11:55:31.218 CEST 2019: No C13 data available
Wed May 08 11:55:31.277 CEST 2019: No HMBC data available
Wed May 08 11:55:31.293 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:55:31.355 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:55:31.950 CEST 2019: Structure is used: true
Wed May 08 11:55:31.997 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_29/1/C05.mol
Wed May 08 11:55:31.997 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Wed May 08 11:55:32.028 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:55:32.043 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:55:32.043 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:55:32.059 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:55:32.075 CEST 2019: Spectrum is suppressed.
Wed May 08 11:55:32.075 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:55:32.090 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:55:32.106 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:55:32.122 CEST 2019: Expected impurity: TSP
Wed May 08 11:55:32.122 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:55:32.138 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]
Wed May 08 11:55:32.138 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]
Wed May 08 11:55:32.154 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:55:32.170 CEST 2019: RMSD noise: 675.356 (10.704/10.204)
Wed May 08 11:55:32.170 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:55:32.185 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:55:32.201 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:55:32.248 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:55:32.654 CEST 2019: Number of Peaks: (105, 22)
Wed May 08 11:55:32.670 CEST 2019: Elapsed time for evaluation (PP Suite): 0.42 s.
Wed May 08 11:55:32.685 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:55:32.701 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:55:32.701 CEST 2019: Signal-to-Noise ratio: 5150.19 (1.030 ppm)
Wed May 08 11:55:32.716 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:55:32.716 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:55:32.732 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.72 s.
Wed May 08 11:55:32.841 CEST 2019: Number of Multiplets: 158
Wed May 08 11:55:32.873 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.13 s.
Wed May 08 11:55:33.091 CEST 2019: Number of Peak Cluster: 35
Wed May 08 11:55:33.107 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.21 s.
Wed May 08 11:55:33.311 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.21 s.
Wed May 08 11:55:34.015 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.68 s.
Wed May 08 11:55:34.046 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 11:55:34.062 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 11:55:34.077 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:55:34.093 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:55:34.109 CEST 2019: Number of consistent PNS: 25
Wed May 08 11:55:34.124 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:55:34.155 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 11:55:34.155 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:55:35.831 CEST 2019: Elapsed time for evaluation (BU Suite): 1.74 s.
Wed May 08 11:55:35.881 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:55:35.881 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:55:36.696 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 11:55:36.711 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:55:36.711 CEST 2019: CMC-q finished in 5.65 s.
