Mon Jul 04 16:50:17.495 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:17.497 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D2_OS_Plate06_D2\1\pdata\1
Mon Jul 04 16:50:17.504 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:17.508 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:17.511 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:17.828 CEST 2022: No HSQC data available
Mon Jul 04 16:50:17.841 CEST 2022: No C13 data available
Mon Jul 04 16:50:17.853 CEST 2022: No HMBC data available
Mon Jul 04 16:50:17.876 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 16:50:18.043 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.16 s.
Mon Jul 04 16:50:18.151 CEST 2022: Structure is used: true
Mon Jul 04 16:50:18.171 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D2_OS_Plate06_D2/1/D2_OS_Plate06_D2-565281a5-e158-44bf-946c-423ec156c8e8.mol
Mon Jul 04 16:50:18.173 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:50:18.184 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:18.186 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:50:18.189 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:18.191 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:18.194 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:18.196 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:18.198 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:18.203 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:18.205 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:18.208 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:18.210 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:18.213 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 16:50:18.215 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:18.217 CEST 2022: RMSD noise: 29696718.120 (11.034/10.534)
Mon Jul 04 16:50:18.220 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:18.223 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:18.226 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:18.251 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:18.351 CEST 2022: Number of Peaks: (101, 13)
Mon Jul 04 16:50:18.354 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:50:18.356 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:18.369 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:50:18.371 CEST 2022: Signal-to-Noise ratio: 17278.68 (2.173 ppm)
Mon Jul 04 16:50:18.374 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:18.377 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:18.379 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:50:18.404 CEST 2022: Number of Multiplets: 151
Mon Jul 04 16:50:18.415 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:50:18.475 CEST 2022: Number of Peak Cluster: 38
Mon Jul 04 16:50:18.481 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:50:18.496 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:50:18.649 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:50:18.658 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:50:18.664 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:18.668 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:50:18.670 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:18.673 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:19.551 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.88 s.
Mon Jul 04 16:50:19.736 CEST 2022: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon Jul 04 16:50:19.787 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:20.125 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:50:20.129 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:20.131 CEST 2022: CMC-q finished in 2.64 s.
