Wed May 08 16:04:34.254 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:04:34.269 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_B03\1\pdata\1
Wed May 08 16:04:34.285 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:04:34.301 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:04:34.316 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:04:34.363 CEST 2019: No HSQC data available
Wed May 08 16:04:34.410 CEST 2019: No C13 data available
Wed May 08 16:04:34.458 CEST 2019: No HMBC data available
Wed May 08 16:04:34.474 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:04:34.533 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:04:35.178 CEST 2019: Structure is used: true
Wed May 08 16:04:35.209 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_B03/1/B03.mol
Wed May 08 16:04:35.225 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Wed May 08 16:04:35.240 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:04:35.256 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:04:35.256 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:04:35.271 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:04:35.271 CEST 2019: Spectrum is suppressed.
Wed May 08 16:04:35.287 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:04:35.303 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:04:35.303 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:04:35.318 CEST 2019: Expected impurity: TSP
Wed May 08 16:04:35.334 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:04:35.334 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 16:04:35.349 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 16:04:35.365 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:04:35.365 CEST 2019: RMSD noise: 704.067 (8.280/7.780)
Wed May 08 16:04:35.381 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:04:35.396 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:04:35.396 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:04:35.443 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:04:35.912 CEST 2019: Number of Peaks: (83, 30)
Wed May 08 16:04:35.927 CEST 2019: Elapsed time for evaluation (PP Suite): 0.48 s.
Wed May 08 16:04:35.943 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:04:35.959 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:04:35.959 CEST 2019: Signal-to-Noise ratio: 1551.86 (8.503 ppm)
Wed May 08 16:04:35.974 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:04:35.990 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:04:35.990 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.77 s.
Wed May 08 16:04:36.240 CEST 2019: Number of Multiplets: 226
Wed May 08 16:04:36.240 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.24 s.
Wed May 08 16:04:36.397 CEST 2019: Number of Peak Cluster: 16
Wed May 08 16:04:36.413 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Wed May 08 16:04:36.539 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 16:04:37.430 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.88 s.
Wed May 08 16:04:37.445 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:04:37.461 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:04:37.477 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:04:37.492 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:04:37.508 CEST 2019: Number of consistent PNS: 25
Wed May 08 16:04:37.524 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:04:37.713 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.17 s.
Wed May 08 16:04:37.728 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:04:39.531 CEST 2019: Elapsed time for evaluation (BU Suite): 2.04 s.
Wed May 08 16:04:39.562 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:04:39.578 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:04:40.376 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 16:04:40.392 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:04:40.392 CEST 2019: CMC-q finished in 6.14 s.
