Your current setup file is: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.par
 
Goniometer type: KM4 (km4gonio.xdll)
Your current setup file is: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.par

WINDOWS INFORMATION: (44.70a 64-bit (release 10-09-2024))
System version: WINDOWS 10, Build: 19045
Screen resolution:2560x1440 (Primary screen); Fonts: 96; Color: 32 bits; monitors: 2

HYPIX CAMERA INTERFACE
Reading tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
NOTE: Peak table with no peaks!
Multi-core copying folder files started

================================== COPY FOLDER FILES SUMMARY ===================================
Source folder path: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\csdsearches_online_Rigaku
Target folder path: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\csdsearches_Rigaku
Files copied:
	-5 folder and subfolder(s) file(s)
=============================================================================================

Multi-core copying folder files finished
Shutterless mode turned OFF for pixel detector!!! Switching to ON.
MICROED/3DED INFO: no microED-frames-digest in experiment present!
iIsMicroEDDigestValidMk1MICROEDLIC (rpputils_pro.dll): digest missing, but license ok!
MICROED/3DED INFO: Trying to add digest for future use...
MICROED/3DED INFO: Digest generator ver3 with buffer
MICROEDUTIL_CAP: MicroED license key expires in 2841 days (Wed Jun 30 13:05:06 2032)!
MICROED/3DED INFO: Data set successfully validated for the use with microED-frames-digest (Thu Sep 19 13:05:06 2024)
MICROED/3DED INFO: microED-frames-digest is valid (license:1)!
MICROEDUTIL_CAP: MicroED license key expires in 2841 days (Wed Jun 30 13:05:06 2032)!
PROFFITIO INFO: Creating PROFFIT lock file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.proffitlock
DC PROFFIT INFO: Concurrent data reduction resumed offline

Process information (Thu Sep 19 13:05:06 2024)
ID: 16040; threads 28; handles 1056; mem 301712.00 (5052044.00)kB; time: 1s

MEMORY INFO: Memory PF:12782.0, Ph:7525.0, V:4933.0;  
MEMORY INFO: Process info - Handles: 1057, Memory: PF:282.4,peak PF: 318.9, WS: 249.3, peak WS: 284.7
MEMORY INFO: RED G:4.6,H:0.5 (#993),V:158.7 (#25)
MEMORY INFO: Tracker: RED 161.5 (#6)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
MEMORY INFO: Memory PF:12784.0, Ph:7525.0, V:4935.0;  
MEMORY INFO: Process info - Handles: 1057, Memory: PF:284.2,peak PF: 318.9, WS: 251.1, peak WS: 284.7
MEMORY INFO: RED G:4.6,H:0.5 (#993),V:160.5 (#26)
MEMORY INFO: Tracker: RED 163.3 (#7)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
DC PROFFIT - Profile-fitting data reduction algorithm (44.70a 64-bit (release 10-09-2024),compiled Sep 10 2024,13:29:26)
DC PROFFIT - Started at Thu Sep 19 13:05:06 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Output file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto
Data reduction with automatic settings
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.025000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.025000   (  0.000000    0.000000    0.000000 )
      1.00400 (    0.00000 )     1.00400 (    0.00000 )     1.00400 (    0.00000 )
     90.00000 (    0.00000 )    90.00000 (    0.00000 )    90.00000 (    0.00000 )
  V =         1.01
Selected cell (from UM rr/UM ttt/UM f):
31     1.0040     1.0040     1.0040    90.0000    90.0000    90.0000         aP
Cross checking gral lattice...
Lattice type P selected
AC6 unit cell: 1.00400 1.00400 1.00400 90.00000 90.00000 90.00000
Background parameters (old style):       50       50 SHORT follow:0
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bg.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion1.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion2.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvsframe.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvstheta.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profiles.dat)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profilecorr*.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_latticeperrun.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_refinedsubmodels.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_lattice.dat)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_datared.ini_report)
DELETE INFO: Deleting rrprof file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rrpprof)
DELETE INFO: Deleting skipregion txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_skipregion.txt)
DELETE INFO: Deleting overflow txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_overflow.txt)
DELETE INFO: Deleting edgeskip txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_edgeskip.txt)
DELETE INFO: Deleting cif file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif)
DELETE INFO: Deleting cif_od file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_od)
DELETE INFO: Deleting _dyn.cif_cap file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_cap)
DELETE INFO: Deleting cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_pets)
DELETE INFO: Deleting _dyn.cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_pets)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscale.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleintcorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleres.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscalerescorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bfactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_afactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_cover.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_hklplot.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_resolutionstats.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_rint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2bm.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2am.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_stickabsorption.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_incidence.dat)
DELETE INFO: Deleting grl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.grl)
DELETE INFO: Deleting ins file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.ins)
DELETE INFO: Deleting eqv file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.eqv)
DELETE INFO: Deleting hkl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hkl)
DELETE INFO: Deleting hklgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hklgral)
DELETE INFO: Deleting p4p file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4p)
DELETE INFO: Deleting p4pgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4pgral)
DELETE INFO: Deleting rint file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint)
DELETE INFO: Deleting rint_redun file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint_redun)
DELETE INFO: Deleting errmod file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.errmod)
Per-frame model refinement: ON
Instrument model dd at start: 647.00 mm
Polarization value used during processing 0.5000
Single frame average background scaling: OFF
Single wavelength only: ON 
Pixel HKL filter in PROFFITPEAK: ON
2-cycle 3D peak analysis: ON
General average background pars: Re=50, Fr=50
Smart background: ON (window = 1, saving frames = 0, visualize frames = 0)
Background computed as FLOAT type: ON
Use 3D profile fitting: ON
Adjust masks according to prediction uncertainty (for high angle data): OFF
Follow profile size changes with incidence angle: ON
Reject reflections with bad profiles: OFF
Consider reflection spot drift along diffraction vector: OFF
Overflow threshold: 258122 
Overflow marker: -9999999 
User limits in use: max: 1000.0000 min: 0.8000  
Not used frames (Frames selector): 0 
Use JETSHADOW for masking shadowed areas: OFF

Camera read noise override for background estimation in use: RMS=  1.0
Space group determination with Gral
AutoChem attempted
Laue symmetry par settings: 1 (Friedel:1)
  0 Extinction conditions:

PROFFITPEAK - Precise peak table update based on 3D profile analysis (2005-2024)
PROFFITPEAK - Started at Thu Sep 19 13:05:06 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Maximum reflection width (in deg): 2.00
I/sigma threshold: 7.00

   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.025000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.025000   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000625    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
    unit cell:
       1.0040    1.0040    1.0040         
      90.0      90.0      90.0      
      V = 1.0120   
Lattice type P used

*** 3D peak analysis started - run 1 ***
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=301, end=350,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_301.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=351, end=400,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_351.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=401, end=450,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_401.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_401.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_401.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=451, end=500,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_451.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_451.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_451.rpb
PROFFITPEAK info: 2283 peaks in the peak location table
UB fit with 104 obs out of 652 (total:652,skipped:0) (15.95%)
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.025000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.025000   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000625    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
    unit cell:
       1.0040    1.0040    1.0040         
      90.0      90.0      90.0      
      V = 1.0120   
********************** SEARCHING FOR BEST UB STARTED *********************
UM IRUN INFO: Rotation interval: [-2.00,2.00] (deg), number of steps 17 (step: 0.250), indexing rejection criterion: 0.1250
UM IRUN INFO: There are 1 'run' piece flips in the peak table (min=1,max=1)
RUN 1, #refl in peak table: 652
#indexed refl 106, indexation with best UB: 16.2577%

Lattice: 1.0040 1.0040 1.0040 90.000 90.000 90.000 1.012
Rotation: -1.000 -2.000 -1.750

********************** SEARCHING FOR BEST UB ENDED ***********************
UB fit with 106 obs out of 652 (total:652,skipped:0) (16.26%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000000    0.000000    0.000000 )
       0.000763    0.024985   -0.000409   (  0.000000    0.000000    0.000000 )
      -0.000872    0.000436    0.024981   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000625    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
    unit cell:
       1.0040    1.0040    1.0040         
      90.0      90.0      90.0      
      V = 1.0120   
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
UB fit with 106 obs out of 652 (total:652,skipped:0) (16.26%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000000    0.000000    0.000000 )
       0.000763    0.024985   -0.000409   (  0.000000    0.000000    0.000000 )
      -0.000872    0.000436    0.024981   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000625    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
    unit cell:
       1.0040    1.0040    1.0040         
      90.0      90.0      90.0      
      V = 1.0120   
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 96 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
652 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakhunt_1"
Run 1 Omega scan: (-63.000 - 62.000,500 frames, 0.250 sec, 0.250 deg) at th=0.000, ka=0.000,ph=0.000 (rot geo dd=647.000)
HKL list info: 3 refl (0 shortened)
MODEL LIST INFO: Indexation prior to per-frame refinement
UB fit with 106 obs out of 652 (total:652,skipped:0) (16.26%)
    unit cell:
       1.0040    1.0040    1.0040         
      90.0      90.0      90.0      
      V = 1.0120   
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
PRO INFO: User interrupt from dialog (Thu Sep 19 13:05:09 2024)
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
User interrupt after cycle 0: isCalibraLSQex in C:\win32\pro\ex94_44_2019_26072023\code\crysalis\util\odxtal\Calibra\calibra5lsqex.cpp
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
New UB matrix singular.
MODEL LIST INFO: Indexation after per-frame refinement
UB fit with 106 obs out of 652 (total:652,skipped:0) (16.26%)
? Can't open file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_1.inc (dwcountprofileswithincidenceangleproffitpeak)
? D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_predictaccuracyvstheta_1.ppc2 cannot be opened, error in (iloadcriterion2proffitpeak) in proffitpeak.cpp
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_proffitpeak"
PROFFITPEAK - Finished at Thu Sep 19 13:05:10 2024
DC PROFFIT INFO: Proffit peak failed!
PROFFITIO INFO: Removing PROFFIT lock file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.proffitlock
WD P/CAL INFO: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_cracker.par written
 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
