Wed May 08 11:36:56.027 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:36:56.027 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_91\1\pdata\1
Wed May 08 11:36:56.058 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:36:56.074 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:36:56.074 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:36:56.121 CEST 2019: No HSQC data available
Wed May 08 11:36:56.168 CEST 2019: No C13 data available
Wed May 08 11:36:56.199 CEST 2019: No HMBC data available
Wed May 08 11:36:56.214 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:36:56.293 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.08 s.
Wed May 08 11:36:56.920 CEST 2019: Structure is used: true
Wed May 08 11:36:56.936 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_91/1/H07.mol
Wed May 08 11:36:56.936 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Wed May 08 11:36:56.978 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:36:56.994 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:36:56.994 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:36:57.009 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:36:57.009 CEST 2019: Spectrum is suppressed.
Wed May 08 11:36:57.025 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:36:57.040 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:36:57.040 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:36:57.056 CEST 2019: Expected impurity: TSP
Wed May 08 11:36:57.072 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:36:57.087 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 11:36:57.089 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 11:36:57.104 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:36:57.104 CEST 2019: RMSD noise: 624.944 (10.704/10.204)
Wed May 08 11:36:57.120 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:36:57.135 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:36:57.135 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:36:57.182 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:36:57.370 CEST 2019: Number of Peaks: (35, 11)
Wed May 08 11:36:57.370 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 11:36:57.385 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:36:57.401 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:36:57.401 CEST 2019: Signal-to-Noise ratio: 2786.93 (2.227 ppm)
Wed May 08 11:36:57.417 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:36:57.432 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:36:57.432 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Wed May 08 11:36:57.464 CEST 2019: Number of Multiplets: 54
Wed May 08 11:36:57.464 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 11:36:57.573 CEST 2019: Number of Peak Cluster: 17
Wed May 08 11:36:57.573 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 11:36:57.620 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 11:36:58.010 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Wed May 08 11:36:58.041 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:36:58.057 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:36:58.073 CEST 2019: Number of consistent PNS: 2
Wed May 08 11:36:58.088 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:36:58.088 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:36:58.276 CEST 2019: Number of ASL: 19
Wed May 08 11:36:58.292 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.19 s.
Wed May 08 11:36:58.464 CEST 2019: Elapsed time for evaluation (IN Suite): 0.16 s.
Wed May 08 11:36:58.503 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:36:59.243 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Wed May 08 11:36:59.259 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:36:59.259 CEST 2019: CMC-q finished in 3.23 s.
