Mon Jul 04 16:50:07.623 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:07.625 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E1_OS_Plate06_E1\1\pdata\1
Mon Jul 04 16:50:07.632 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:07.636 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:07.639 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:07.934 CEST 2022: No HSQC data available
Mon Jul 04 16:50:07.944 CEST 2022: No C13 data available
Mon Jul 04 16:50:07.954 CEST 2022: No HMBC data available
Mon Jul 04 16:50:07.962 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:50:08.333 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.37 s.
Mon Jul 04 16:50:08.409 CEST 2022: Structure is used: true
Mon Jul 04 16:50:08.412 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E1_OS_Plate06_E1/1/E1_OS_Plate06_E1-e25413fb-6300-4982-bd7e-534ed1f6afdd.mol
Mon Jul 04 16:50:08.414 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:50:08.547 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:08.550 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.13 s.
Mon Jul 04 16:50:08.553 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:08.555 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:08.558 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:08.561 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:08.563 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:08.568 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:08.570 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:08.573 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:08.575 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:08.578 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 16:50:08.580 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:08.582 CEST 2022: RMSD noise: 27905060.730 (-2.860/-3.359)
Mon Jul 04 16:50:08.584 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:08.587 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:08.591 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:08.615 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:08.688 CEST 2022: Number of Peaks: (60, 7)
Mon Jul 04 16:50:08.691 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:50:08.694 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:08.707 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:50:08.709 CEST 2022: Signal-to-Noise ratio: 18069.20 (3.962 ppm)
Mon Jul 04 16:50:08.712 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:08.715 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:08.717 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.30 s.
Mon Jul 04 16:50:08.731 CEST 2022: Number of Multiplets: 73
Mon Jul 04 16:50:08.734 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:50:08.771 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:50:08.777 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:50:08.786 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:50:08.904 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:50:08.921 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:50:08.926 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:08.929 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:50:08.931 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:08.933 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:08.936 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:50:08.947 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:50:08.996 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:09.339 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:50:09.342 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:09.345 CEST 2022: CMC-q finished in 1.72 s.
