Wed May 08 16:28:27.444 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:28:27.444 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_H04\1\pdata\1
Wed May 08 16:28:27.461 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:28:27.477 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:28:27.493 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:28:27.524 CEST 2019: No HSQC data available
Wed May 08 16:28:27.555 CEST 2019: No C13 data available
Wed May 08 16:28:27.602 CEST 2019: No HMBC data available
Wed May 08 16:28:27.618 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:28:27.661 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:28:28.131 CEST 2019: Structure is used: true
Wed May 08 16:28:28.146 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_H04/1/H04.mol
Wed May 08 16:28:28.146 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.48 s.
Wed May 08 16:28:28.162 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:28:28.178 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:28:28.193 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:28:28.193 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:28:28.209 CEST 2019: Spectrum is suppressed.
Wed May 08 16:28:28.209 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:28:28.225 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:28:28.225 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:28:28.240 CEST 2019: Expected impurity: TSP
Wed May 08 16:28:28.240 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:28:28.256 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 16:28:28.256 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 16:28:28.271 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 16:28:28.271 CEST 2019: RMSD noise: 644.534 (-0.203/-0.703)
Wed May 08 16:28:28.287 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:28:28.287 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:28:28.318 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 16:28:28.365 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:28:28.506 CEST 2019: Number of Peaks: (33, 15)
Wed May 08 16:28:28.506 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Wed May 08 16:28:28.521 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:28:28.521 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:28:28.537 CEST 2019: Signal-to-Noise ratio: 6649.03 (1.198 ppm)
Wed May 08 16:28:28.537 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:28:28.553 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:28:28.553 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 16:28:28.584 CEST 2019: Number of Multiplets: 71
Wed May 08 16:28:28.599 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:28:28.678 CEST 2019: Number of Peak Cluster: 17
Wed May 08 16:28:28.678 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 16:28:28.834 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Wed May 08 16:28:29.115 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Wed May 08 16:28:29.131 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:28:29.146 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:28:29.146 CEST 2019: Number of consistent PNS: 4
Wed May 08 16:28:29.162 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:28:29.177 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:28:29.646 CEST 2019: Number of ASL: 332
Wed May 08 16:28:29.646 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.47 s.
Wed May 08 16:28:30.305 CEST 2019: Elapsed time for evaluation (IN Suite): 0.65 s.
Wed May 08 16:28:30.336 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:28:30.336 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:28:30.352 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:28:30.914 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Wed May 08 16:28:30.914 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:28:30.945 CEST 2019: CMC-q finished in 3.50 s.
