Mon Jul 04 16:37:23.342 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:37:23.345 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H7_OS_Plate03_H7\1\pdata\1
Mon Jul 04 16:37:23.352 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:37:23.356 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:37:23.359 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:37:23.386 CEST 2022: No HSQC data available
Mon Jul 04 16:37:23.396 CEST 2022: No C13 data available
Mon Jul 04 16:37:23.405 CEST 2022: No HMBC data available
Mon Jul 04 16:37:23.412 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:37:23.430 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:37:23.514 CEST 2022: Structure is used: true
Mon Jul 04 16:37:23.531 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H7_OS_Plate03_H7/1/H7_OS_Plate03_H7-8be88679-21bd-43cf-aada-ae695f46f670.mol
Mon Jul 04 16:37:23.533 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:37:23.539 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:37:23.542 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:37:23.545 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:37:23.547 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:37:23.549 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:37:23.552 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:37:23.554 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:37:23.558 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:37:23.560 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:37:23.563 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:37:23.566 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:37:23.568 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 16:37:23.570 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:37:23.573 CEST 2022: RMSD noise: 29062803.683 (12.669/12.169)
Mon Jul 04 16:37:23.575 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:37:23.578 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:37:23.582 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:37:23.606 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:37:23.687 CEST 2022: Number of Peaks: (58, 11)
Mon Jul 04 16:37:23.692 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:37:23.696 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:37:23.912 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.21 s.
Mon Jul 04 16:37:23.915 CEST 2022: Signal-to-Noise ratio: 3425.50 (3.926 ppm)
Mon Jul 04 16:37:23.917 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:37:23.920 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:37:23.923 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.39 s.
Mon Jul 04 16:37:23.934 CEST 2022: Number of Multiplets: 77
Mon Jul 04 16:37:23.937 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:37:23.977 CEST 2022: Number of Peak Cluster: 22
Mon Jul 04 16:37:23.984 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:37:23.992 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:37:24.104 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:37:24.107 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:37:24.111 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:37:24.115 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:37:24.117 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:37:24.120 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:37:24.138 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:37:24.201 CEST 2022: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon Jul 04 16:37:24.250 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:37:24.597 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:37:24.600 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:37:24.603 CEST 2022: CMC-q finished in 1.26 s.
