Mon Jul 04 16:22:00.218 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:00.220 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H5_OS_Plate011_H5\1\pdata\1
Mon Jul 04 16:22:00.228 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:00.232 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:00.235 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:00.289 CEST 2022: No HSQC data available
Mon Jul 04 16:22:00.331 CEST 2022: No C13 data available
Mon Jul 04 16:22:00.342 CEST 2022: No HMBC data available
Mon Jul 04 16:22:00.354 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:22:00.372 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:00.454 CEST 2022: Structure is used: true
Mon Jul 04 16:22:00.457 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H5_OS_Plate011_H5/1/H5_OS_Plate11_H5-b397a6b8-827a-4680-8e29-6e3f90403382.mol
Mon Jul 04 16:22:00.459 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:22:00.466 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:00.469 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:00.472 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:00.475 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:00.477 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:00.480 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:00.482 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:00.487 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:00.490 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:00.493 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:00.496 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:00.498 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 16:22:00.501 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:00.504 CEST 2022: RMSD noise: 31581774.737 (-2.040/-2.539)
Mon Jul 04 16:22:00.506 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:00.509 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:00.513 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:00.538 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:00.600 CEST 2022: Number of Peaks: (44, 9)
Mon Jul 04 16:22:00.603 CEST 2022: Elapsed time for evaluation (PP Suite): 0.06 s.
Mon Jul 04 16:22:00.606 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:00.661 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:22:00.664 CEST 2022: Signal-to-Noise ratio: 942.97 (6.604 ppm)
Mon Jul 04 16:22:00.667 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:00.670 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:00.672 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:22:00.682 CEST 2022: Number of Multiplets: 65
Mon Jul 04 16:22:00.684 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:22:00.720 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:22:00.726 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:22:00.742 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:22:00.858 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:22:00.879 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:00.884 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:00.887 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:22:00.890 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:00.893 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:00.905 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:22:00.919 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:22:00.971 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:00.974 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:22:01.329 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:22:01.332 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:01.335 CEST 2022: CMC-q finished in 1.12 s.
