Wed May 08 12:27:54.243 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:27:54.243 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_84\1\pdata\1
Wed May 08 12:27:54.274 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:27:54.274 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:27:54.290 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:27:54.336 CEST 2019: No HSQC data available
Wed May 08 12:27:54.385 CEST 2019: No C13 data available
Wed May 08 12:27:54.431 CEST 2019: No HMBC data available
Wed May 08 12:27:54.469 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:27:54.532 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 12:27:55.392 CEST 2019: Structure is used: true
Wed May 08 12:27:55.423 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_84/1/G12.mol
Wed May 08 12:27:55.439 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.90 s.
Wed May 08 12:27:55.474 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:27:55.490 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:27:55.490 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:27:55.505 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:27:55.521 CEST 2019: Spectrum is suppressed.
Wed May 08 12:27:55.521 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:27:55.537 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:27:55.537 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:27:55.552 CEST 2019: Expected impurity: TSP
Wed May 08 12:27:55.568 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:27:55.585 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 12:27:55.585 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 12:27:55.600 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 12:27:55.616 CEST 2019: RMSD noise: 660.614 (-0.812/-1.312)
Wed May 08 12:27:55.616 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:27:55.632 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:27:55.647 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:27:55.694 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:27:56.178 CEST 2019: Number of Peaks: (88, 42)
Wed May 08 12:27:56.194 CEST 2019: Elapsed time for evaluation (PP Suite): 0.48 s.
Wed May 08 12:27:56.194 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:27:56.210 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:27:56.240 CEST 2019: Signal-to-Noise ratio: 1187.02 (2.845 ppm)
Wed May 08 12:27:56.240 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:27:56.256 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:27:56.256 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.82 s.
Wed May 08 12:27:56.773 CEST 2019: Number of Multiplets: 313
Wed May 08 12:27:56.804 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.54 s.
Wed May 08 12:27:57.044 CEST 2019: Number of Peak Cluster: 14
Wed May 08 12:27:57.060 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.22 s.
Wed May 08 12:27:57.122 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 12:27:58.420 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 1.29 s.
Wed May 08 12:27:58.436 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:27:58.451 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:27:58.483 CEST 2019: Number of consistent PNS: 8
Wed May 08 12:27:58.498 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 12:27:58.514 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:28:04.503 CEST 2019: Number of ASL: 192
Wed May 08 12:28:04.519 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.99 s.
Wed May 08 12:28:09.206 CEST 2019: Elapsed time for evaluation (IN Suite): 4.67 s.
Wed May 08 12:28:09.238 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:28:09.253 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:28:09.989 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Wed May 08 12:28:10.004 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:28:10.020 CEST 2019: CMC-q finished in 15.78 s.
