Mon May 13 13:46:25.310 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:46:25.320 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_G10\1\pdata\1
Mon May 13 13:46:25.331 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:46:25.351 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:46:25.351 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:46:25.370 CEST 2019: No HSQC data available
Mon May 13 13:46:25.390 CEST 2019: No C13 data available
Mon May 13 13:46:25.410 CEST 2019: No HMBC data available
Mon May 13 13:46:25.420 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:46:25.460 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:46:26.051 CEST 2019: Structure is used: true
Mon May 13 13:46:26.080 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_G10/1/0110705774.mol
Mon May 13 13:46:26.090 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.62 s.
Mon May 13 13:46:26.100 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:46:26.110 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:46:26.120 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:46:26.131 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:46:26.140 CEST 2019: Spectrum is suppressed.
Mon May 13 13:46:26.149 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:46:26.151 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:46:26.160 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:46:26.170 CEST 2019: Expected impurity: TSP
Mon May 13 13:46:26.180 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:46:26.190 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 13:46:26.201 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 13:46:26.201 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Mon May 13 13:46:26.210 CEST 2019: RMSD noise: 674.534 (9.492/8.992)
Mon May 13 13:46:26.220 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:46:26.231 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:46:26.240 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:46:26.280 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:46:26.430 CEST 2019: Number of Peaks: (37, 3)
Mon May 13 13:46:26.441 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 13 13:46:26.450 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:46:26.460 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:46:26.460 CEST 2019: Signal-to-Noise ratio: 371.76 (3.270 ppm)
Mon May 13 13:46:26.470 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:46:26.480 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:46:26.490 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Mon May 13 13:46:26.530 CEST 2019: Number of Multiplets: 88
Mon May 13 13:46:26.541 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:46:26.610 CEST 2019: Number of Peak Cluster: 10
Mon May 13 13:46:26.630 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:46:26.781 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Mon May 13 13:46:27.075 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon May 13 13:46:27.090 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:46:27.100 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:46:27.110 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:46:27.120 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:46:27.130 CEST 2019: Number of consistent PNS: 15
Mon May 13 13:46:27.140 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:46:27.160 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 13:46:27.171 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:46:27.545 CEST 2019: Elapsed time for evaluation (BU Suite): 0.41 s.
Mon May 13 13:46:27.560 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:46:27.572 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:46:28.090 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.54 s.
Mon May 13 13:46:28.100 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:46:28.110 CEST 2019: CMC-q finished in 2.80 s.
