Wed May 08 16:28:40.407 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:28:40.423 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_H05\1\pdata\1
Wed May 08 16:28:40.438 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:28:40.438 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:28:40.454 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:28:40.485 CEST 2019: No HSQC data available
Wed May 08 16:28:40.517 CEST 2019: No C13 data available
Wed May 08 16:28:40.548 CEST 2019: No HMBC data available
Wed May 08 16:28:40.563 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:28:40.610 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:28:41.283 CEST 2019: Structure is used: true
Wed May 08 16:28:41.299 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_H05/1/H05.mol
Wed May 08 16:28:41.315 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.69 s.
Wed May 08 16:28:41.330 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:28:41.330 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:28:41.346 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:28:41.346 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:28:41.361 CEST 2019: Spectrum is suppressed.
Wed May 08 16:28:41.361 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:28:41.377 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:28:41.377 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:28:41.394 CEST 2019: Expected impurity: TSP
Wed May 08 16:28:41.394 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:28:41.410 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 16:28:41.410 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 16:28:41.425 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 16:28:41.425 CEST 2019: RMSD noise: 695.986 (0.403/-0.097)
Wed May 08 16:28:41.441 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:28:41.441 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:28:41.457 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:28:41.488 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:28:41.628 CEST 2019: Number of Peaks: (36, 7)
Wed May 08 16:28:41.644 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 16:28:41.660 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:28:41.660 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:28:41.675 CEST 2019: Signal-to-Noise ratio: 199.04 (2.242 ppm)
Wed May 08 16:28:41.675 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:28:41.691 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:28:41.691 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Wed May 08 16:28:41.722 CEST 2019: Number of Multiplets: 71
Wed May 08 16:28:41.738 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:28:41.786 CEST 2019: Number of Peak Cluster: 16
Wed May 08 16:28:41.802 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 16:28:41.864 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 16:28:42.145 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.26 s.
Wed May 08 16:28:42.161 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:28:42.161 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:28:42.177 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:28:42.192 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:28:42.208 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:28:46.053 CEST 2019: Number of ASL: 115
Wed May 08 16:28:46.069 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.85 s.
Wed May 08 16:28:46.727 CEST 2019: Elapsed time for evaluation (IN Suite): 0.65 s.
Wed May 08 16:28:46.758 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:28:46.758 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:28:47.353 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 16:28:47.368 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:28:47.368 CEST 2019: CMC-q finished in 6.96 s.
