Mon Jul 04 16:27:06.218 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:27:06.220 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D7_OS_Plate012_D7\1\pdata\1
Mon Jul 04 16:27:06.228 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:27:06.231 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:27:06.234 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:27:06.269 CEST 2022: No HSQC data available
Mon Jul 04 16:27:06.281 CEST 2022: No C13 data available
Mon Jul 04 16:27:06.293 CEST 2022: No HMBC data available
Mon Jul 04 16:27:06.300 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:27:06.321 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:27:06.455 CEST 2022: Structure is used: true
Mon Jul 04 16:27:06.458 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D7_OS_Plate012_D7/1/D7_OS_Plate12_D7-31be8d0b-b24d-43f2-b8fa-51f115bbe55a.mol
Mon Jul 04 16:27:06.461 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:27:06.471 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:27:06.473 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:27:06.476 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:27:06.479 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:27:06.481 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:27:06.484 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:27:06.486 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:27:06.491 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:27:06.493 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:27:06.496 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:27:06.499 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:27:06.501 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 16:27:06.504 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:27:06.506 CEST 2022: RMSD noise: 31786371.502 (5.315/4.815)
Mon Jul 04 16:27:06.509 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:27:06.511 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:27:06.515 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:27:06.539 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:27:06.630 CEST 2022: Number of Peaks: (81, 11)
Mon Jul 04 16:27:06.633 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:27:06.636 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:27:06.696 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:27:06.714 CEST 2022: Signal-to-Noise ratio: 5873.45 (2.866 ppm)
Mon Jul 04 16:27:06.717 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:27:06.720 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:27:06.722 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:27:06.738 CEST 2022: Number of Multiplets: 108
Mon Jul 04 16:27:06.740 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:27:06.788 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:27:06.794 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:27:06.805 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:27:06.943 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:27:06.951 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:27:06.956 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:27:06.960 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:27:06.963 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:27:06.965 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:27:07.053 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon Jul 04 16:27:07.170 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon Jul 04 16:27:07.218 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:27:07.567 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:27:07.578 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:27:07.581 CEST 2022: CMC-q finished in 1.36 s.
