Mon Jul 04 16:28:09.724 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:28:09.727 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G9_OS_Plate012_G9\1\pdata\1
Mon Jul 04 16:28:09.734 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:28:09.738 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:28:09.741 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:28:09.772 CEST 2022: No HSQC data available
Mon Jul 04 16:28:09.783 CEST 2022: No C13 data available
Mon Jul 04 16:28:09.795 CEST 2022: No HMBC data available
Mon Jul 04 16:28:09.802 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:28:09.819 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:28:09.946 CEST 2022: Structure is used: true
Mon Jul 04 16:28:09.966 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G9_OS_Plate012_G9/1/G9_OS_Plate12_G9-e294baa4-9490-46cf-b9c1-df853e436aef.mol
Mon Jul 04 16:28:09.969 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:28:09.975 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:28:09.977 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:28:09.980 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:28:09.982 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:28:09.985 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:28:09.987 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:28:09.989 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:28:09.994 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:28:09.997 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:28:10.000 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:28:10.002 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:28:10.005 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 16:28:10.007 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:28:10.009 CEST 2022: RMSD noise: 29571591.128 (12.669/12.169)
Mon Jul 04 16:28:10.012 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:28:10.015 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:28:10.018 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:28:10.042 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:28:10.105 CEST 2022: Number of Peaks: (45, 11)
Mon Jul 04 16:28:10.109 CEST 2022: Elapsed time for evaluation (PP Suite): 0.06 s.
Mon Jul 04 16:28:10.111 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:28:10.155 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:28:10.158 CEST 2022: Signal-to-Noise ratio: 810.94 (7.586 ppm)
Mon Jul 04 16:28:10.161 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:28:10.163 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:10.166 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.19 s.
Mon Jul 04 16:28:10.178 CEST 2022: Number of Multiplets: 89
Mon Jul 04 16:28:10.181 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:28:10.209 CEST 2022: Number of Peak Cluster: 17
Mon Jul 04 16:28:10.216 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.03 s.
Mon Jul 04 16:28:10.221 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:28:10.334 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:28:10.350 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:28:10.355 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:28:10.358 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:28:10.361 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:28:10.364 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:28:10.424 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Mon Jul 04 16:28:10.597 CEST 2022: Elapsed time for evaluation (IN Suite): 0.16 s.
Mon Jul 04 16:28:10.645 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:28:10.998 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:28:11.001 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:11.003 CEST 2022: CMC-q finished in 1.28 s.
