Mon Jul 04 16:22:44.341 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:44.344 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B8_OS_Plate011_B8\1\pdata\1
Mon Jul 04 16:22:44.350 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:44.354 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:44.357 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:44.388 CEST 2022: No HSQC data available
Mon Jul 04 16:22:44.399 CEST 2022: No C13 data available
Mon Jul 04 16:22:44.408 CEST 2022: No HMBC data available
Mon Jul 04 16:22:44.415 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:22:44.436 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:44.533 CEST 2022: Structure is used: true
Mon Jul 04 16:22:44.551 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B8_OS_Plate011_B8/1/B8_OS_Plate11_B8-4cada122-4364-41c1-ac16-29821a03d517.mol
Mon Jul 04 16:22:44.554 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:22:44.564 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:44.567 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:44.570 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:44.572 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:44.574 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:44.577 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:44.579 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:44.583 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:44.585 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:44.588 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:44.590 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:44.593 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:22:44.595 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:44.598 CEST 2022: RMSD noise: 29203019.054 (-2.860/-3.359)
Mon Jul 04 16:22:44.600 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:44.603 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:44.607 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:44.630 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:44.721 CEST 2022: Number of Peaks: (73, 8)
Mon Jul 04 16:22:44.724 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:22:44.727 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:44.747 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:22:44.750 CEST 2022: Signal-to-Noise ratio: 5369.28 (2.316 ppm)
Mon Jul 04 16:22:44.753 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:44.755 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:44.757 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:22:44.775 CEST 2022: Number of Multiplets: 115
Mon Jul 04 16:22:44.778 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:22:44.833 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:22:44.839 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:22:44.849 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:22:44.980 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:22:44.988 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:44.993 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:44.997 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:22:44.999 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:45.001 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:45.005 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:22:45.010 CEST 2022: Elapsed time for evaluation (IN Suite): 0.00 s.
Mon Jul 04 16:22:45.058 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:45.417 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:22:45.420 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:45.422 CEST 2022: CMC-q finished in 1.08 s.
