Mon Jul 04 16:43:23.259 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:43:23.262 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G7_OS_Plate04_G7\1\pdata\1
Mon Jul 04 16:43:23.269 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:43:23.273 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:43:23.275 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:43:23.336 CEST 2022: No HSQC data available
Mon Jul 04 16:43:23.347 CEST 2022: No C13 data available
Mon Jul 04 16:43:23.359 CEST 2022: No HMBC data available
Mon Jul 04 16:43:23.366 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:43:23.386 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:43:23.488 CEST 2022: Structure is used: true
Mon Jul 04 16:43:23.504 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G7_OS_Plate04_G7/1/G7_OS_Plate04_G7-6e701e4a-29d1-489d-84d7-bf8a16ba7961.mol
Mon Jul 04 16:43:23.507 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:43:23.513 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:43:23.515 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:43:23.519 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:43:23.521 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:43:23.523 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:43:23.526 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:43:23.529 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:43:23.534 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:43:23.536 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:43:23.539 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:43:23.541 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:43:23.544 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 16:43:23.546 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:43:23.548 CEST 2022: RMSD noise: 31200973.020 (6.132/5.632)
Mon Jul 04 16:43:23.551 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:43:23.554 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:43:23.558 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:43:23.583 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:43:23.659 CEST 2022: Number of Peaks: (64, 10)
Mon Jul 04 16:43:23.662 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:43:23.665 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:43:23.718 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:43:23.722 CEST 2022: Signal-to-Noise ratio: 1567.03 (8.128 ppm)
Mon Jul 04 16:43:23.725 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:43:23.727 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:43:23.730 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:43:23.745 CEST 2022: Number of Multiplets: 119
Mon Jul 04 16:43:23.748 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:43:23.789 CEST 2022: Number of Peak Cluster: 25
Mon Jul 04 16:43:23.796 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:43:23.804 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:43:23.934 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:43:23.959 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:43:23.963 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:43:23.967 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:43:23.970 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:43:23.972 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:43:23.979 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:43:24.065 CEST 2022: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon Jul 04 16:43:24.121 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:43:24.484 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:43:24.487 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:43:24.489 CEST 2022: CMC-q finished in 1.23 s.
