Wed May 08 09:21:46.548 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:21:46.564 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_35\1\pdata\1
Wed May 08 09:21:46.579 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:21:46.595 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:21:46.595 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:21:46.642 CEST 2019: No HSQC data available
Wed May 08 09:21:46.657 CEST 2019: No C13 data available
Wed May 08 09:21:46.689 CEST 2019: No HMBC data available
Wed May 08 09:21:46.704 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:21:46.752 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:21:47.199 CEST 2019: Structure is used: true
Wed May 08 09:21:47.215 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_35/1/83.mol
Wed May 08 09:21:47.231 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.46 s.
Wed May 08 09:21:47.231 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:21:47.246 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:21:47.262 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:21:47.262 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:21:47.262 CEST 2019: Spectrum is suppressed.
Wed May 08 09:21:47.277 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:21:47.277 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:21:47.293 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:21:47.309 CEST 2019: Expected impurity: TSP
Wed May 08 09:21:47.309 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:21:47.324 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 09:21:47.324 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 09:21:47.340 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:21:47.340 CEST 2019: RMSD noise: 710.465 (10.098/9.598)
Wed May 08 09:21:47.356 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:21:47.356 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:21:47.371 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:21:47.402 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:21:47.576 CEST 2019: Number of Peaks: (51, 9)
Wed May 08 09:21:47.591 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:21:47.607 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:21:47.607 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:21:47.623 CEST 2019: Signal-to-Noise ratio: 3685.88 (2.311 ppm)
Wed May 08 09:21:47.623 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:21:47.638 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:21:47.638 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:21:47.670 CEST 2019: Number of Multiplets: 88
Wed May 08 09:21:47.685 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:21:47.765 CEST 2019: Number of Peak Cluster: 26
Wed May 08 09:21:47.780 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:21:47.921 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 09:21:48.202 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:21:48.218 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:21:48.233 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:21:48.233 CEST 2019: Number of consistent PNS: 2
Wed May 08 09:21:48.249 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:21:48.265 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:21:48.374 CEST 2019: Number of ASL: 60
Wed May 08 09:21:48.389 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Wed May 08 09:21:48.546 CEST 2019: Elapsed time for evaluation (IN Suite): 0.15 s.
Wed May 08 09:21:48.561 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:21:48.577 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:21:49.139 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.58 s.
Wed May 08 09:21:49.139 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:21:49.155 CEST 2019: CMC-q finished in 2.61 s.
