Wed May 08 16:08:01.348 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:08:01.348 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_C01\1\pdata\1
Wed May 08 16:08:01.380 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:08:01.380 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:08:01.395 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:08:01.442 CEST 2019: No HSQC data available
Wed May 08 16:08:01.475 CEST 2019: No C13 data available
Wed May 08 16:08:01.507 CEST 2019: No HMBC data available
Wed May 08 16:08:01.523 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:08:01.570 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:08:02.128 CEST 2019: Structure is used: true
Wed May 08 16:08:02.144 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_C01/1/C01.mol
Wed May 08 16:08:02.160 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.54 s.
Wed May 08 16:08:02.177 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:08:02.177 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:08:02.192 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:08:02.208 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:08:02.208 CEST 2019: Spectrum is suppressed.
Wed May 08 16:08:02.224 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:08:02.224 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:08:02.239 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:08:02.255 CEST 2019: Expected impurity: TSP
Wed May 08 16:08:02.255 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:08:02.271 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 16:08:02.286 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 16:08:02.286 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:08:02.302 CEST 2019: RMSD noise: 646.297 (-0.812/-1.312)
Wed May 08 16:08:02.302 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:08:02.317 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:08:02.333 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:08:02.381 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:08:02.617 CEST 2019: Number of Peaks: (44, 6)
Wed May 08 16:08:02.632 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Wed May 08 16:08:02.648 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:08:02.664 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:08:02.664 CEST 2019: Signal-to-Noise ratio: 2708.72 (3.580 ppm)
Wed May 08 16:08:02.679 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:08:02.695 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:08:02.695 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 16:08:02.742 CEST 2019: Number of Multiplets: 73
Wed May 08 16:08:02.742 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 16:08:02.868 CEST 2019: Number of Peak Cluster: 18
Wed May 08 16:08:02.868 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 16:08:02.962 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Wed May 08 16:08:03.321 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 16:08:03.337 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:08:03.352 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:08:03.368 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:08:03.383 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:08:03.399 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:08:03.572 CEST 2019: Number of ASL: 12
Wed May 08 16:08:03.588 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.18 s.
Wed May 08 16:08:03.650 CEST 2019: Elapsed time for evaluation (IN Suite): 0.05 s.
Wed May 08 16:08:03.682 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:08:04.373 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Wed May 08 16:08:04.389 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:08:04.404 CEST 2019: CMC-q finished in 3.06 s.
