Mon Jul 04 16:18:22.199 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:18:22.202 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D9_OS_Plate09_D9\1\pdata\1
Mon Jul 04 16:18:22.209 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:18:22.213 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:18:22.215 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:18:22.263 CEST 2022: No HSQC data available
Mon Jul 04 16:18:22.284 CEST 2022: No C13 data available
Mon Jul 04 16:18:22.296 CEST 2022: No HMBC data available
Mon Jul 04 16:18:22.303 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:18:22.325 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:18:22.414 CEST 2022: Structure is used: true
Mon Jul 04 16:18:22.417 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D9_OS_Plate09_D9/1/D9_OS_Plate9_D9-231c2837-96fc-40e2-a193-e3bf20171915.mol
Mon Jul 04 16:18:22.420 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:18:22.431 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:18:22.434 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:18:22.437 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:18:22.439 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:18:22.441 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:18:22.444 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:18:22.446 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:18:22.450 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:18:22.453 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:18:22.456 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:18:22.458 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:18:22.461 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 16:18:22.463 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:18:22.465 CEST 2022: RMSD noise: 30498157.381 (-0.405/-0.905)
Mon Jul 04 16:18:22.467 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:18:22.470 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:18:22.474 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:18:22.498 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:18:22.559 CEST 2022: Number of Peaks: (42, 4)
Mon Jul 04 16:18:22.562 CEST 2022: Elapsed time for evaluation (PP Suite): 0.06 s.
Mon Jul 04 16:18:22.564 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:18:22.597 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:18:22.600 CEST 2022: Signal-to-Noise ratio: 1429.16 (7.637 ppm)
Mon Jul 04 16:18:22.603 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:18:22.605 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:18:22.608 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.18 s.
Mon Jul 04 16:18:22.616 CEST 2022: Number of Multiplets: 53
Mon Jul 04 16:18:22.618 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:18:22.652 CEST 2022: Number of Peak Cluster: 19
Mon Jul 04 16:18:22.658 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:18:22.663 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:18:22.781 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:18:22.788 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:18:22.792 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:18:22.795 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:18:22.798 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:18:22.800 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:18:22.826 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:18:22.857 CEST 2022: Elapsed time for evaluation (IN Suite): 0.03 s.
Mon Jul 04 16:18:22.905 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:18:22.907 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:18:23.284 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:18:23.308 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:18:23.311 CEST 2022: CMC-q finished in 1.11 s.
