Wed May 08 10:52:15.166 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:52:15.181 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_42\1\pdata\1
Wed May 08 10:52:15.212 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:52:15.228 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:52:15.228 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:52:15.275 CEST 2019: No HSQC data available
Wed May 08 10:52:15.300 CEST 2019: No C13 data available
Wed May 08 10:52:15.347 CEST 2019: No HMBC data available
Wed May 08 10:52:15.378 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:52:15.441 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:52:16.067 CEST 2019: Structure is used: true
Wed May 08 10:52:16.086 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_42/1/D06.mol
Wed May 08 10:52:16.102 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.65 s.
Wed May 08 10:52:16.121 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:52:16.121 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:52:16.137 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:52:16.152 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:52:16.152 CEST 2019: Spectrum is suppressed.
Wed May 08 10:52:16.168 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:52:16.183 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:52:16.183 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:52:16.199 CEST 2019: Expected impurity: TSP
Wed May 08 10:52:16.215 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:52:16.215 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 10:52:16.230 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 10:52:16.246 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:52:16.246 CEST 2019: RMSD noise: 654.528 (10.704/10.204)
Wed May 08 10:52:16.262 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:52:16.277 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:52:16.293 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:52:16.324 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:52:16.513 CEST 2019: Number of Peaks: (35, 18)
Wed May 08 10:52:16.528 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 10:52:16.528 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:52:16.544 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:52:16.560 CEST 2019: Signal-to-Noise ratio: 611.64 (7.596 ppm)
Wed May 08 10:52:16.560 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:52:16.575 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:52:16.591 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Wed May 08 10:52:16.622 CEST 2019: Number of Multiplets: 96
Wed May 08 10:52:16.638 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 10:52:16.716 CEST 2019: Number of Peak Cluster: 13
Wed May 08 10:52:16.732 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 10:52:16.794 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 10:52:17.153 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 10:52:17.200 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 10:52:17.200 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:52:17.216 CEST 2019: Number of consistent PNS: 2
Wed May 08 10:52:17.231 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:52:17.247 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 10:52:20.418 CEST 2019: Number of ASL: 400
Wed May 08 10:52:20.434 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.17 s.
Wed May 08 10:52:21.419 CEST 2019: Elapsed time for evaluation (IN Suite): 0.99 s.
Wed May 08 10:52:21.451 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:52:21.466 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:52:22.249 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 10:52:22.249 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:52:22.264 CEST 2019: CMC-q finished in 7.10 s.
