Wed May 08 09:36:24.044 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:36:24.059 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_92\1\pdata\1
Wed May 08 09:36:24.075 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:36:24.090 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:36:24.106 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:36:24.137 CEST 2019: No HSQC data available
Wed May 08 09:36:24.153 CEST 2019: No C13 data available
Wed May 08 09:36:24.184 CEST 2019: No HMBC data available
Wed May 08 09:36:24.184 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:36:24.231 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:36:25.168 CEST 2019: Structure is used: true
Wed May 08 09:36:25.200 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_92/1/64.mol
Wed May 08 09:36:25.200 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.96 s.
Wed May 08 09:36:25.215 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:36:25.231 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:36:25.246 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:36:25.246 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:36:25.262 CEST 2019: Spectrum is suppressed.
Wed May 08 09:36:25.262 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 09:36:25.278 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:36:25.293 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:36:25.293 CEST 2019: Expected impurity: TSP
Wed May 08 09:36:25.309 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:36:25.325 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 09:36:25.325 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 09:36:25.340 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:36:25.352 CEST 2019: RMSD noise: 640.802 (10.704/10.204)
Wed May 08 09:36:25.353 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:36:25.368 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:36:25.384 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:36:25.415 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 09:36:25.855 CEST 2019: Number of Peaks: (94, 47)
Wed May 08 09:36:25.855 CEST 2019: Elapsed time for evaluation (PP Suite): 0.43 s.
Wed May 08 09:36:25.872 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:36:25.888 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:36:25.888 CEST 2019: Signal-to-Noise ratio: 779.55 (6.937 ppm)
Wed May 08 09:36:25.903 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:36:25.903 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:36:25.919 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.71 s.
Wed May 08 09:36:26.255 CEST 2019: Number of Multiplets: 290
Wed May 08 09:36:26.271 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.35 s.
Wed May 08 09:36:26.427 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:36:26.427 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 09:36:26.458 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Wed May 08 09:36:27.320 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.85 s.
Wed May 08 09:36:27.351 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 09:36:27.366 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:36:27.398 CEST 2019: Number of consistent PNS: 6
Wed May 08 09:36:27.413 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Wed May 08 09:36:27.476 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.05 s.
Wed May 08 09:36:41.671 CEST 2019: Number of ASL: 121
Wed May 08 09:36:41.686 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 14.20 s.
Wed May 08 09:36:44.349 CEST 2019: Elapsed time for evaluation (IN Suite): 2.65 s.
Wed May 08 09:36:44.365 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:36:44.380 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:36:44.994 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:36:44.994 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:36:45.009 CEST 2019: CMC-q finished in 20.96 s.
