Wed May 08 16:20:58.023 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:20:58.023 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F04\1\pdata\1
Wed May 08 16:20:58.039 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:20:58.054 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:20:58.070 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:20:58.117 CEST 2019: No HSQC data available
Wed May 08 16:20:58.148 CEST 2019: No C13 data available
Wed May 08 16:20:58.179 CEST 2019: No HMBC data available
Wed May 08 16:20:58.195 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:20:58.252 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:20:58.925 CEST 2019: Structure is used: true
Wed May 08 16:20:58.956 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F04/1/F04.mol
Wed May 08 16:20:58.956 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.71 s.
Wed May 08 16:20:58.987 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:20:59.003 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:20:59.018 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:20:59.018 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:20:59.034 CEST 2019: Spectrum is suppressed.
Wed May 08 16:20:59.034 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:20:59.050 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:20:59.065 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:20:59.081 CEST 2019: Expected impurity: TSP
Wed May 08 16:20:59.087 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:20:59.087 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 16:20:59.103 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 16:20:59.119 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:20:59.119 CEST 2019: RMSD noise: 680.349 (5.250/4.751)
Wed May 08 16:20:59.134 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:20:59.150 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:20:59.150 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:20:59.197 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:20:59.481 CEST 2019: Number of Peaks: (54, 20)
Wed May 08 16:20:59.496 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 16:20:59.512 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:20:59.512 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:20:59.528 CEST 2019: Signal-to-Noise ratio: 4645.71 (2.258 ppm)
Wed May 08 16:20:59.544 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:20:59.544 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:20:59.560 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Wed May 08 16:20:59.622 CEST 2019: Number of Multiplets: 116
Wed May 08 16:20:59.622 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 16:20:59.749 CEST 2019: Number of Peak Cluster: 20
Wed May 08 16:20:59.764 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 16:20:59.858 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Wed May 08 16:21:00.285 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Wed May 08 16:21:00.317 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:21:00.317 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:21:00.338 CEST 2019: Number of consistent PNS: 4
Wed May 08 16:21:00.354 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:21:00.354 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:21:00.401 CEST 2019: Number of ASL: 4
Wed May 08 16:21:00.401 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Wed May 08 16:21:01.296 CEST 2019: Elapsed time for evaluation (IN Suite): 0.88 s.
Wed May 08 16:21:01.327 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:21:01.327 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:21:02.050 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Wed May 08 16:21:02.066 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:21:02.066 CEST 2019: CMC-q finished in 4.06 s.
