Mon Jul 04 16:41:58.939 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:41:58.942 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E5_OS_Plate04_E5\1\pdata\1
Mon Jul 04 16:41:58.949 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:41:58.952 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:41:58.955 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:41:59.026 CEST 2022: No HSQC data available
Mon Jul 04 16:41:59.038 CEST 2022: No C13 data available
Mon Jul 04 16:41:59.049 CEST 2022: No HMBC data available
Mon Jul 04 16:41:59.060 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:41:59.080 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:41:59.180 CEST 2022: Structure is used: true
Mon Jul 04 16:41:59.198 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E5_OS_Plate04_E5/1/E5_OS_Plate04_E5-54790fa2-ccde-4489-ba75-88ed563fe64c.mol
Mon Jul 04 16:41:59.201 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:41:59.212 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:41:59.214 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:41:59.217 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:41:59.220 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:41:59.222 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:41:59.224 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:41:59.226 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:41:59.231 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:41:59.233 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:41:59.236 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:41:59.238 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:41:59.241 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 16:41:59.243 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:41:59.245 CEST 2022: RMSD noise: 29700644.591 (6.132/5.632)
Mon Jul 04 16:41:59.248 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:41:59.250 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:41:59.254 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:41:59.278 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:41:59.374 CEST 2022: Number of Peaks: (90, 4)
Mon Jul 04 16:41:59.378 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:41:59.380 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:41:59.416 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:41:59.419 CEST 2022: Signal-to-Noise ratio: 1271.74 (7.345 ppm)
Mon Jul 04 16:41:59.421 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:41:59.424 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:41:59.426 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:41:59.448 CEST 2022: Number of Multiplets: 130
Mon Jul 04 16:41:59.451 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:41:59.501 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:41:59.506 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:41:59.521 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:41:59.654 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:41:59.661 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:41:59.665 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:41:59.669 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:41:59.672 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:41:59.676 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:41:59.685 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:41:59.753 CEST 2022: Elapsed time for evaluation (IN Suite): 0.07 s.
Mon Jul 04 16:41:59.803 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:42:00.147 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:42:00.150 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:42:00.152 CEST 2022: CMC-q finished in 1.21 s.
