Wed May 08 11:19:43.138 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:19:43.154 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_60\1\pdata\1
Wed May 08 11:19:43.170 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:19:43.185 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:19:43.185 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:19:43.232 CEST 2019: No HSQC data available
Wed May 08 11:19:43.279 CEST 2019: No C13 data available
Wed May 08 11:19:43.310 CEST 2019: No HMBC data available
Wed May 08 11:19:43.326 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:19:43.388 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:19:44.030 CEST 2019: Structure is used: true
Wed May 08 11:19:44.061 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_60/1/E12.mol
Wed May 08 11:19:44.061 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Wed May 08 11:19:44.108 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:19:44.123 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:19:44.123 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:19:44.139 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:19:44.154 CEST 2019: Spectrum is suppressed.
Wed May 08 11:19:44.154 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:19:44.170 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:19:44.186 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:19:44.201 CEST 2019: Expected impurity: TSP
Wed May 08 11:19:44.201 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:19:44.217 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 11:19:44.217 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 11:19:44.233 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:19:44.248 CEST 2019: RMSD noise: 700.779 (10.098/9.598)
Wed May 08 11:19:44.248 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:19:44.264 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:19:44.279 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:19:44.328 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:19:44.593 CEST 2019: Number of Peaks: (56, 15)
Wed May 08 11:19:44.624 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Wed May 08 11:19:44.640 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:19:44.640 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:19:44.656 CEST 2019: Signal-to-Noise ratio: 1026.70 (4.125 ppm)
Wed May 08 11:19:44.671 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:19:44.671 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:19:44.687 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.61 s.
Wed May 08 11:19:44.749 CEST 2019: Number of Multiplets: 114
Wed May 08 11:19:44.765 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 11:19:44.889 CEST 2019: Number of Peak Cluster: 21
Wed May 08 11:19:44.889 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 11:19:45.030 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 11:19:45.421 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 11:19:45.421 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:19:45.437 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:19:45.452 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:19:45.468 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:19:45.483 CEST 2019: Number of consistent PNS: 25
Wed May 08 11:19:45.499 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:19:45.515 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:19:45.515 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:19:46.812 CEST 2019: Elapsed time for evaluation (BU Suite): 1.33 s.
Wed May 08 11:19:46.854 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:19:46.854 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:19:47.621 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 11:19:47.652 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:19:47.652 CEST 2019: CMC-q finished in 4.51 s.
