Wed May 08 16:19:53.807 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:19:53.807 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_E12\1\pdata\1
Wed May 08 16:19:53.839 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:19:53.839 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:19:53.854 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:19:53.917 CEST 2019: No HSQC data available
Wed May 08 16:19:53.997 CEST 2019: No C13 data available
Wed May 08 16:19:54.060 CEST 2019: No HMBC data available
Wed May 08 16:19:54.077 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:19:54.125 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:19:55.318 CEST 2019: Structure is used: true
Wed May 08 16:19:55.333 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_E12/1/E12.mol
Wed May 08 16:19:55.333 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.20 s.
Wed May 08 16:19:55.366 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:19:55.379 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:19:55.379 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:19:55.394 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:19:55.394 CEST 2019: Spectrum is suppressed.
Wed May 08 16:19:55.410 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:19:55.426 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:19:55.426 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:19:55.441 CEST 2019: Expected impurity: TSP
Wed May 08 16:19:55.457 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:19:55.457 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 16:19:55.473 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 16:19:55.488 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:19:55.488 CEST 2019: RMSD noise: 676.533 (10.704/10.204)
Wed May 08 16:19:55.504 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:19:55.519 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:19:55.519 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:19:55.566 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:19:56.005 CEST 2019: Number of Peaks: (95, 32)
Wed May 08 16:19:56.021 CEST 2019: Elapsed time for evaluation (PP Suite): 0.44 s.
Wed May 08 16:19:56.036 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:19:56.036 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:19:56.056 CEST 2019: Signal-to-Noise ratio: 2638.17 (3.777 ppm)
Wed May 08 16:19:56.056 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:19:56.072 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:19:56.088 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.73 s.
Wed May 08 16:19:56.509 CEST 2019: Number of Multiplets: 316
Wed May 08 16:19:56.509 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.43 s.
Wed May 08 16:19:56.762 CEST 2019: Number of Peak Cluster: 20
Wed May 08 16:19:56.762 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.24 s.
Wed May 08 16:19:56.950 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Wed May 08 16:19:57.936 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.98 s.
Wed May 08 16:19:57.967 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:19:57.983 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:19:58.029 CEST 2019: Number of consistent PNS: 12
Wed May 08 16:19:58.029 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.05 s.
Wed May 08 16:19:58.061 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:20:06.655 CEST 2019: Number of ASL: 345
Wed May 08 16:20:06.671 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 8.60 s.
Wed May 08 16:20:09.561 CEST 2019: Elapsed time for evaluation (IN Suite): 2.88 s.
Wed May 08 16:20:09.592 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:20:09.608 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:20:10.486 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.91 s.
Wed May 08 16:20:10.501 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:20:10.501 CEST 2019: CMC-q finished in 16.69 s.
