Wed May 08 12:20:50.330 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:20:50.346 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_72\1\pdata\1
Wed May 08 12:20:50.361 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:20:50.377 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:20:50.377 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:20:50.424 CEST 2019: No HSQC data available
Wed May 08 12:20:50.456 CEST 2019: No C13 data available
Wed May 08 12:20:50.503 CEST 2019: No HMBC data available
Wed May 08 12:20:50.503 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:20:50.586 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 12:20:51.321 CEST 2019: Structure is used: true
Wed May 08 12:20:51.368 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_72/1/F12.mol
Wed May 08 12:20:51.368 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.78 s.
Wed May 08 12:20:51.414 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:20:51.430 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:20:51.430 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:20:51.445 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:20:51.461 CEST 2019: Spectrum is suppressed.
Wed May 08 12:20:51.461 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:20:51.477 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:20:51.492 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:20:51.508 CEST 2019: Expected impurity: TSP
Wed May 08 12:20:51.508 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:20:51.525 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 12:20:51.541 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 12:20:51.541 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 12:20:51.556 CEST 2019: RMSD noise: 728.037 (6.462/5.963)
Wed May 08 12:20:51.572 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:20:51.572 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:20:51.587 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:20:51.650 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:20:51.962 CEST 2019: Number of Peaks: (60, 21)
Wed May 08 12:20:51.978 CEST 2019: Elapsed time for evaluation (PP Suite): 0.32 s.
Wed May 08 12:20:51.994 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:20:51.994 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:20:52.009 CEST 2019: Signal-to-Noise ratio: 1876.86 (1.306 ppm)
Wed May 08 12:20:52.025 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:20:52.025 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:20:52.040 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.65 s.
Wed May 08 12:20:52.134 CEST 2019: Number of Multiplets: 124
Wed May 08 12:20:52.134 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Wed May 08 12:20:52.323 CEST 2019: Number of Peak Cluster: 20
Wed May 08 12:20:52.338 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.17 s.
Wed May 08 12:20:52.510 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Wed May 08 12:20:52.963 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.44 s.
Wed May 08 12:20:53.010 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:20:53.026 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:20:53.041 CEST 2019: Number of consistent PNS: 4
Wed May 08 12:20:53.057 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:20:53.072 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:21:01.658 CEST 2019: Number of ASL: 365
Wed May 08 12:21:01.674 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 8.59 s.
Wed May 08 12:21:03.486 CEST 2019: Elapsed time for evaluation (IN Suite): 1.80 s.
Wed May 08 12:21:03.519 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:21:03.534 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:21:04.238 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Wed May 08 12:21:04.254 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:21:04.254 CEST 2019: CMC-q finished in 13.92 s.
