data_BA2DY2GE4O13_publ

# publcif _publ_body_element loop start
loop_
_publ_body_element
_publ_body_title
_publ_body_contents

 section 
;
Introduction
; 
;

;
 section 
;
Experimental
; 
;

;
 subsection 
;
Synthesis and crystallization
; 
;

;
 subsection 
;
Refinement
;
;
Crystal data, data collection and structure refinement details are summarized
in Table 1.
;

 section 
;
Results and discussion
; 
;

;
# publcif _publ_body_element loop end

_pd_block_id
  2021-05-26T14:26|BA2DY2GE4O13|Chufarov|Overall

_audit_creation_method  "from EXP file using GSAS2CIF"
_audit_creation_date                   2021-05-26T14:26
_audit_author_name                     Chufarov
_audit_update_record
;
2021-05-26T14:26  Initial CIF as created by GSAS2CIF

2021-06-01 # Formatted by publCIF
;

#=============================================================================
# this information describes the project, paper etc. for the CIF             #
# Acta Cryst. Section C papers and editorial correspondence is generated     #
# from the information in this section                                       #
#                                                                            #
#   (from)   CIF submission form for Rietveld refinements (Acta Cryst. C)    #
#                                                 Version 14 December 1998   #
#=============================================================================
# 1. SUBMISSION DETAILS

_publ_contact_author_name            'Lipina, Olga Andreevna'
_publ_contact_author_address            
'Inst. of Solid State Chemistry UB RAS 91, Pervomaiskaya, Ekaterinburg Russia'
_publ_contact_author_email           'LipinaOlgaA@yandex.ru'
_publ_contact_author_fax             ?
_publ_contact_author_phone           '+7 952 143 0282'

_publ_contact_letter
?

_publ_requested_journal              'Dalton Transactions'
_publ_requested_coeditor_name        ?
_publ_requested_category             ?   # Acta C: one of CI/CM/CO/FI/FM/FO

#==============================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_data_validation_number      ?

_journal_date_recd_electronic        ?
_journal_date_to_coeditor            ?
_journal_date_from_coeditor          ?
_journal_date_accepted               ?
_journal_date_printers_first         ?
_journal_date_printers_final         ?
_journal_date_proofs_out             ?
_journal_date_proofs_in              ?
_journal_coeditor_name               ?
_journal_coeditor_code               ?
_journal_coeditor_notes
?
_journal_techeditor_code             ?
_journal_techeditor_notes
?
_journal_coden_ASTM                  ?
_journal_name_full                   'Dalton Transactions'
_journal_year                        2021
_journal_volume                      ?
_journal_issue                       ?
_journal_page_first                  ?
_journal_page_last                   ?
_journal_paper_category              ?
_journal_suppl_publ_number           ?
_journal_suppl_publ_pages            ?

#==============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title   
;
Structural and spectroscopic characterization of new Ba2RE2Ge4O13 (RE = Pr, Nd,
Gd, Dy) and Ba2Gd2-xEuxGe4O13 tetragermanates
;

_publ_section_title_footnote
.

# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
	_publ_author_name
	_publ_author_footnote
	_publ_author_address

'Lipina, Olga A.'
','
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Surat, Ludmila L.'
','
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Chufarov, Alexander Yu.'
','
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Tyutyunnik, Alexander P.'
','
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Enyashin, Andrey N.'
','
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Baklanova, Yana V.'
','
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Chvanova, Anastasia V.'
','
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

'Mironov, Leonid Yu.'
','
'ITMO University, Kronverksky Pr. 49, bldg. A, St. Petersburg, Russia'

'Belova, Ksenia G.'
','
;
Inst. of High Temperature Electrochemistry, Akademicheskaya 20, UB RAS,
Ekaterinburg, Russia
Inst. of Natural Sciences and Mathematics, Ural Federal University, 
48 Kuybisheva, Ekaterinburg, Russia
;

'Zubkov, Vladimir G.'
','
'Inst. of Solid State Chemistry, UB RAS, Pervomaiskaya 91, Ekaterinburg, Russia'

#==============================================================================

# 4. TEXT

_publ_section_synopsis
.
_publ_section_abstract
;
(type here to add)
;

_publ_section_exptl_prep      # Details of the preparation of the sample(s)
                              # should be given here.
;

;

_publ_section_exptl_refinement
;

;

_publ_section_references
;
?
;

_publ_section_figure_captions
;

;

_publ_section_acknowledgements
;
This work was supported by the Russian Science Foundation (Grant
19-73-00219)
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details
?
_pd_proc_ls_special_details
?

# The following items are used to identify the programs used.
_computing_molecular_graphics     'VESTA Ver. 3.4.4'
_computing_publication_material   ?

_refine_ls_weighting_scheme       ?
_refine_ls_weighting_details      ?
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      ?
_refine_ls_extinction_coef        ?
_refine_ls_number_constraints     ?

_refine_ls_restrained_S_all       ?
_refine_ls_restrained_S_obs       ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate                ?
_pd_prep_pressure                 ?
_pd_prep_temperature              ?

_pd_char_colour                   white       # use ICDD colour descriptions

_refine_ls_shift/su_max                0.03
_refine_ls_shift/su_mean               0.01
_computing_structure_refinement        GSAS
_refine_ls_number_parameters           70
_refine_ls_goodness_of_fit_all         1.31
_refine_ls_number_restraints           0
_refine_ls_matrix_type                 full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology      ?

_chemical_name_systematic         "Dibarium didysprosium(III) tetragermanate"
_chemical_name_common             "Barium Dysprosium Germanate"
_chemical_formula_moiety          ?
_chemical_formula_structural      "Ba2 Dy2 Ge4 O13"
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and
                                          # natural products
_symmetry_space_group_name_Hall   "-C 2yc"

_exptl_crystal_F_000               ?
_exptl_crystal_density_diffrn      6.046
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      "not measured"

_cell_measurement_temperature     298(2)

_cell_special_details
?

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution     
"GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)"

#==============================================================================

# 8. Phase information from GSAS




_pd_phase_name                        "Ba2Dy2Ge4O13"
_cell_length_a                         12.99646(10)
_cell_length_b                         5.35130(4)
_cell_length_c                         17.96244(16)
_cell_angle_alpha                      90.0
_cell_angle_beta                       105.0556(5)
_cell_angle_gamma                      90.0
_cell_volume                           1206.370(21)
_symmetry_cell_setting                 monoclinic
_symmetry_space_group_name_H-M         "C 1 2/c 1"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 -x,+y,-z+1/2 
      -1 -x,-y,-z 
      -2 +x,-y,+z+1/2 
     101 +x+1/2,+y+1/2,+z 
     102 -x+1/2,+y+1/2,-z+1/2 
    -101 -x+1/2,-y+1/2,-z 
    -102 +x+1/2,-y+1/2,+z+1/2 

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
Ba
Ba      0.15700(9)   0.5032(4)    0.33263(6)   1.0        Uiso   0.0339(4)     8
Dy
Dy      0.11297(9)   0.5099(4)    0.08598(5)   1.0        Uiso   0.0294(5)     8
Ge
Ge1     0.06542(14)  0.0421(6)    0.18260(11)  1.0        Uiso   0.0292(7)     8
Ge
Ge2    -0.12221(18) -0.0342(6)    0.03705(12)  1.0        Uiso   0.0269(7)     8
O 
O1      0.0789(9)   -0.2870(19)   0.1890(6)    1.0        Uiso   0.0201(14)    8
O 
O2      0.1783(9)    0.2395(16)   0.1938(6)    1.0        Uiso   0.0201(14)    8
O 
O3      0.0          0.1745(26)   0.25         1.0        Uiso   0.0201(14)    4
O 
O4     -0.0214(9)    0.1727(17)   0.0948(6)    1.0        Uiso   0.0201(14)    8
O 
O5     -0.1621(8)    0.1072(17)  -0.0546(5)    1.0        Uiso   0.0201(14)    8
O 
O6     -0.2106(6)   -0.0563(20)   0.0947(4)    1.0        Uiso   0.0201(14)    8
O 
O7     -0.0707(8)   -0.3465(18)   0.0339(6)    1.0        Uiso   0.0201(14)    8

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum                  "Ba2 Dy2 Ge4 O13"
_chemical_formula_weight               1098.01
_cell_formula_units_Z                  4

# MOLECULAR GEOMETRY

loop_
      _geom_bond_atom_site_label_1
      _geom_bond_atom_site_label_2
      _geom_bond_distance
      _geom_bond_site_symmetry_1
      _geom_bond_site_symmetry_2
      _geom_bond_publ_flag
  Ba        O1               2.754(10)  .      1_565  n
  Ba        O1               3.193(10)  .      2_565  n
  Ba        O2               2.941(10)  .      1_555  n
  Ba        O2               2.633(11)  .    102_555  n
  Ba        O3                2.808(9)  .      1_555  n
  Ba        O4               3.021(11)  .      2_555  n
  Ba        O5               2.740(10)  .   -102_555  n
  Ba        O6               3.268(10)  .      2_555  n
  Ba        O6               2.697(10)  .      2_565  n
  Ba        O7               3.008(10)  .      2_565  n
  Dy        O1               2.287(10)  .      1_565  n
  Dy        O2               2.390(10)  .      1_555  n
  Dy        O4               2.545(10)  .      1_555  n
  Dy        O5                2.261(9)  .     -1_565  n
  Dy        O6                2.286(8)  .    101_555  n
  Dy        O7               2.450(10)  .      1_565  n
  Dy        O7                2.256(9)  .     -1_555  n
  Ge1       Ge1               3.300(4)  .      2_555  n
  Ge1       Ge2             3.1043(27)  .      1_555  n
  Ge1       O1               1.770(11)  .      1_555  n
  Ge1       O2               1.777(11)  .      1_555  n
  Ge1       O3                1.796(6)  .      1_555  n
  Ge1       O4                1.824(9)  .      1_555  n
  Ge1       O5                3.001(9)  .     -1_555  n
  Ge2       Ge1             3.1043(27)  .      1_555  n
  Ge2       O4               1.820(10)  .      1_555  n
  Ge2       O5                1.763(9)  .      1_555  n
  Ge2       O6                1.738(8)  .      1_555  n
  Ge2       O7               1.807(10)  .      1_555  n

loop_
      _geom_angle_atom_site_label_1
      _geom_angle_atom_site_label_2
      _geom_angle_atom_site_label_3
      _geom_angle
      _geom_angle_site_symmetry_1
      _geom_angle_site_symmetry_2
      _geom_angle_site_symmetry_3
      _geom_angle_publ_flag
  O1        Ba        O2               59.62(24)      1_565  .      1_555  n
  O1        Ba        O2               75.78(34)      1_565  .    102_555  n
  O1        Ba        O3               73.74(29)      1_565  .      1_555  n
  O1        Ba        O4              121.92(27)      1_565  .      2_555  n
  O1        Ba        O5              144.81(29)      1_565  .   -102_555  n
  O1        Ba        O6               94.76(27)      1_565  .      2_565  n
  O1        Ba        O7              120.97(27)      1_565  .      2_565  n
  O2        Ba        O2               79.49(22)      1_555  .    102_555  n
  O2        Ba        O3               57.78(22)      1_555  .      1_555  n
  O2        Ba        O4              106.22(28)      1_555  .      2_555  n
  O2        Ba        O5              105.77(30)      1_555  .   -102_555  n
  O2        Ba        O6              139.52(28)      1_555  .      2_565  n
  O2        Ba        O7              160.22(30)      1_555  .      2_565  n
  O2        Ba        O3              135.94(23)    102_555  .      1_555  n
  O2        Ba        O4              162.08(28)    102_555  .      2_555  n
  O2        Ba        O5               69.84(27)    102_555  .   -102_555  n
  O2        Ba        O6               63.11(28)    102_555  .      2_565  n
  O2        Ba        O7              120.26(31)    102_555  .      2_565  n
  O3        Ba        O4               55.69(20)      1_555  .      2_555  n
  O3        Ba        O5              128.45(35)      1_555  .   -102_555  n
  O3        Ba        O6              149.77(27)      1_555  .      2_565  n
  O3        Ba        O7              102.62(20)      1_555  .      2_565  n
  O4        Ba        O5               92.24(25)      2_555  .   -102_555  n
  O4        Ba        O6              114.13(25)      2_555  .      2_565  n
  O4        Ba        O7               55.42(24)      2_555  .      2_565  n
  O5        Ba        O6               76.50(28)   -102_555  .      2_565  n
  O5        Ba        O7               83.92(28)   -102_555  .      2_565  n
  O6        Ba        O7               58.89(24)      2_565  .      2_565  n
  O1        Dy        O2               74.61(30)      1_565  .      1_555  n
  O1        Dy        O4                 90.4(4)      1_565  .      1_555  n
  O1        Dy        O5               84.14(33)      1_565  .     -1_565  n
  O1        Dy        O6              114.83(35)      1_565  .    101_555  n
  O1        Dy        O7               77.64(32)      1_565  .      1_565  n
  O1        Dy        O7                155.1(4)      1_565  .     -1_555  n
  O2        Dy        O4                 68.0(4)      1_555  .      1_555  n
  O2        Dy        O5              133.39(34)      1_555  .     -1_565  n
  O2        Dy        O6                 73.2(4)      1_555  .    101_555  n
  O2        Dy        O7                127.2(4)      1_555  .      1_565  n
  O2        Dy        O7                119.1(4)      1_555  .     -1_555  n
  O4        Dy        O5              154.30(34)      1_555  .     -1_565  n
  O4        Dy        O6                125.3(4)      1_555  .    101_555  n
  O4        Dy        O7               68.26(32)      1_555  .      1_565  n
  O4        Dy        O7               77.50(32)      1_555  .     -1_555  n
  O5        Dy        O6                 79.3(4)     -1_565  .    101_555  n
  O5        Dy        O7                 86.0(4)     -1_565  .      1_565  n
  O5        Dy        O7                 97.3(4)     -1_565  .     -1_555  n
  O6        Dy        O7              159.32(32)    101_555  .      1_565  n
  O6        Dy        O7               89.79(32)    101_555  .     -1_555  n
  O7        Dy        O7                 77.6(4)      1_565  .     -1_555  n
  Ge1       Ge1       Ge2              100.15(8)      2_555  .      1_555  n
  O1        Ge1       O2                121.3(6)      1_555  .      1_555  n
  O1        Ge1       O3                113.9(6)      1_555  .      1_555  n
  O1        Ge1       O4                117.8(5)      1_555  .      1_555  n
  O2        Ge1       O3                102.2(5)      1_555  .      1_555  n
  O2        Ge1       O4                100.2(5)      1_555  .      1_555  n
  O3        Ge1       O4                 97.9(4)      1_555  .      1_555  n
  O4        Ge2       O5                105.3(4)      1_555  .      1_555  n
  O4        Ge2       O6                101.0(5)      1_555  .      1_555  n
  O4        Ge2       O7                111.3(5)      1_555  .      1_555  n
  O5        Ge2       O6                120.4(4)      1_555  .      1_555  n
  O5        Ge2       O7                112.9(5)      1_555  .      1_555  n
  O6        Ge2       O7                105.3(5)      1_555  .      1_555  n

#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details
?

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions
?

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location
?
_pd_calibration_special_details           # description of the method used
                                          # to calibrate the instrument
"external Si standard"

_diffrn_ambient_temperature       298
_diffrn_source                    "sealed X-ray tube"
_diffrn_source_target             Cu
_diffrn_source_type               "PHILIPS PW 2283/20"
_diffrn_measurement_device_type   "transmission diffractometer Stadi-P (STOE)"
_diffrn_detector                  "position sensitive detector"
_diffrn_detector_type             "linear mini-PSD (STOE)"
       # make or model of detector

_pd_meas_scan_method              step       # options are 'step', 'cont',
                                          # 'tof', 'fixed' or
                                          # 'disp' (= dispersive)
_pd_meas_special_details
?

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection        
"STOE Powder Software Package (STOE, Germany)"
_computing_data_reduction         
"STOE Powder Software Package (STOE, Germany)"

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction      ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator   "Primary, curved Ge 111"

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono           260
_pd_instr_dist_mono/spec          130
_pd_instr_dist_src/spec           ?
_pd_instr_dist_spec/anal          ?
_pd_instr_dist_anal/detc          ?
_pd_instr_dist_spec/detc          220

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial               7       # perpendicular to
                                          # equatorial plane

_pd_spec_size_equat               0.1       # parallel to
                                          # scattering vector
                                          # in transmission

_pd_spec_size_thick               ?       # parallel to
                                          # scattering vector
                                          # in reflection

_pd_spec_mounting                         # This field should be
                                          # used to give details of the
                                          # container.
"powder on Mylar film"

_pd_spec_mount_mode               transmission       # options are 'reflection'
                                          # or 'transmission'

_pd_spec_shape                    flat_sheet       # options are 'cylinder'
                                          # 'flat_sheet' or 'irregular'






# phase table
loop_     _pd_phase_id
          _pd_phase_block_id
          _pd_phase_mass_%
          _pd_proc_ls_profile_function
          _pd_proc_ls_peak_cutoff
  1  2021-05-26T14:26|BA2DY2GE4O13_phase1|Chufarov||
           95.050(10)
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =   95.229 #2(GV)   =  -21.454 #3(GW)   =   21.965
 #4(GP)   =    0.000 #5(LX)   =    2.862 #6(LY)   =    3.117
 #7(S/L)  =   0.0230 #8(H/L)  =   0.0230
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=    -2.81 #12(ptec)=    -1.07 #13(sfec)=     0.00
 #14(L11) =    0.011 #15(L22) =   -0.100 #16(L33) =    0.013
 #17(L12) =   -0.032 #18(L13) =    0.019 #19(L23) =   -0.020
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
           0.00100

loop_ _atom_type_symbol
      _atom_type_number_in_cell
      _atom_type_scat_dispersion_real
      _atom_type_scat_dispersion_imag
      _atom_type_scat_Cromer_Mann_a1
      _atom_type_scat_Cromer_Mann_a2
      _atom_type_scat_Cromer_Mann_a3
      _atom_type_scat_Cromer_Mann_a4
      _atom_type_scat_Cromer_Mann_b1
      _atom_type_scat_Cromer_Mann_b2
      _atom_type_scat_Cromer_Mann_b3
      _atom_type_scat_Cromer_Mann_b4
      _atom_type_scat_Cromer_Mann_c
      _atom_type_scat_source
  Ba    8.0     0.000    0.000
 20.3361 3.21600 19.2970 0.27560 10.8880 20.2073 2.69590 167.202 2.77310 
  International_Tables_Vol_C
  Dy    8.0     0.000    0.000
 26.5070 2.18020 17.6383 0.20217 14.5596 12.1899 2.96577 111.874 4.29728 
  International_Tables_Vol_C
  Ge   16.0     0.000    0.000
 16.0816 2.85090 6.37470 0.25160 3.70680 11.4468 3.68300 54.7625 2.13130 
  International_Tables_Vol_C
  O    52.0     0.000    0.000
 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 
  International_Tables_Vol_C
_diffrn_radiation_probe                x-ray
_diffrn_radiation_polarisn_ratio       0.8
_diffrn_radiation_wavelength           1.54056
_diffrn_radiation_type                 'Cu K\a~1~'
_pd_proc_ls_prof_R_factor              0.0125
_pd_proc_ls_prof_wR_factor             0.0161
_pd_proc_ls_prof_wR_expected           0.0123
_refine_ls_R_Fsqd_factor               0.03677

_pd_proc_ls_background_function
;   GSAS Background function number 1 with 13 terms.
 Shifted Chebyshev function of 1st kind
      1:    5780.23     2:   -3424.88     3:    402.255     4:   -684.369    
      5:    250.206     6:    23.4386     7:   -99.3389     8:    47.7794    
      9:    12.0551    10:   -36.0720    11:    33.6745    12:   -14.0433    
     13:   -4.23341    
;

_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 4
 Flat plate transmission absorption correction
Terms =    -0.44000         0.0000    
Correction is not refined.
;
_exptl_absorpt_correction_T_min        1.97494
_exptl_absorpt_correction_T_max        4.16090
# Extinction correction
_gsas_exptl_extinct_corr_T_min         1.00000
_gsas_exptl_extinct_corr_T_max         1.00000
_pd_proc_info_datetime                 2021-05-26T14:26:52
_pd_calc_method                        "Rietveld Refinement"

#---- raw/calc data loop -----
_pd_meas_2theta_range_min              5.0
_pd_meas_2theta_range_max              119.98
_pd_meas_2theta_range_inc              0.02
_pd_proc_2theta_range_min              4.9777
_pd_proc_2theta_range_max              119.9577
_pd_proc_2theta_range_inc              0.02

loop_
      _pd_meas_counts_total
      _pd_proc_ls_weight
      _pd_proc_intensity_bkg_calc
      _pd_calc_intensity_total
  10476.0    0.0000955   10462.99414   10462.99512
  10429.0    0.0000959   10457.14551   10457.14648
  10309.0    0.0000970   10451.32129   10451.32129
  10250.0    0.0000976   10445.51953   10445.52051
  10323.0    0.0000969   10439.74219   10439.74316
  10304.0    0.0000970   10433.98828   10433.98828
  10269.0    0.0000974   10428.25684   10428.25781
  10543.0    0.0000948   10422.54883   10422.54980
  10238.0    0.0000977   10416.86426   10416.86426
  10249.0    0.0000976   10411.20215   10411.20215
  10456.0    0.0000956   10405.56250   10405.56250
  10437.0    0.0000958   10399.94531   10399.94629
  10314.0    0.0000970   10394.35059   10394.35059
  10331.0    0.0000968   10388.77734   10388.77832
  10421.0    0.0000960   10383.22754   10383.22754
  10208.0    0.0000980   10377.69824   10377.69922
  10460.0    0.0000956   10372.19141   10372.19238
  10245.0    0.0000976   10366.70605   10366.70605
  10366.0    0.0000965   10361.24121   10361.24219
  10411.0    0.0000961   10355.79883   10355.79980
  10264.0    0.0000974   10350.37793   10350.37793
  10412.0    0.0000960   10344.97754   10344.97754
  10141.0    0.0000986   10339.59668   10339.59766
  10258.0    0.0000975   10334.23828   10334.23926
  10261.0    0.0000975   10328.89941   10328.90039
  10234.0    0.0000977   10323.58105   10323.58203
  10233.0    0.0000977   10318.28418   10318.28516
  10303.0    0.0000971   10313.00586   10313.00684
  10310.0    0.0000970   10307.74902   10307.74902
  10330.0    0.0000968   10302.51074   10302.51172
  10373.0    0.0000964   10297.29297   10297.29395
  10208.0    0.0000980   10292.09473   10292.09570
  10225.0    0.0000978   10286.91504   10286.91602
  10200.0    0.0000980   10281.75586   10281.75684
  10075.0    0.0000993   10276.61523   10276.61621
  10233.0    0.0000977   10271.49414   10271.49512
  10250.0    0.0000976   10266.39160   10266.39258
  10140.0    0.0000986   10261.30762   10261.30859
  10305.0    0.0000970   10256.24219   10256.24316
  10251.0    0.0000976   10251.19629   10251.19629
  10354.0    0.0000966   10246.16797   10246.16895
  10264.0    0.0000974   10241.15820   10241.15820
  10237.0    0.0000977   10236.16602   10236.16602
  10182.0    0.0000982   10231.19238   10231.19238
  10292.0    0.0000972   10226.23633   10226.23633
  10246.0    0.0000976   10221.29785   10221.29883
  10267.0    0.0000974   10216.37695   10216.37793
  10233.0    0.0000977   10211.47363   10211.47461
  10128.0    0.0000987   10206.58789   10206.58887
  10168.0    0.0000983   10201.71875   10201.71973
  10186.0    0.0000982   10196.86816   10196.86816
  10232.0    0.0000977   10192.03320   10192.03418
  10220.0    0.0000978   10187.21582   10187.21582
  10222.0    0.0000978   10182.41406   10182.41504
  10055.0    0.0000995   10177.62988   10177.63086
  10107.0    0.0000989   10172.86230   10172.86230
  10160.0    0.0000984   10168.11035   10168.11035
  9991.0     0.0001001   10163.37500   10163.37598
  10198.0    0.0000981   10158.65527   10158.65625
  10251.0    0.0000976   10153.95215   10153.95312
  10142.0    0.0000986   10149.26465   10149.26562
  10196.0    0.0000981   10144.59277   10144.59375
  10349.0    0.0000966   10139.93750   10139.93750
  10203.0    0.0000980   10135.29688   10135.29688
  10062.0    0.0000994   10130.67090   10130.67188
  10138.0    0.0000986   10126.06152   10126.06250
  10290.0    0.0000972   10121.46680   10121.46680
  10236.0    0.0000977   10116.88672   10116.88770
  10107.0    0.0000989   10112.32227   10112.32324
  10105.0    0.0000990   10107.77246   10107.77344
  10089.0    0.0000991   10103.23730   10103.23828
  10176.0    0.0000983   10098.71680   10098.71777
  10306.0    0.0000970   10094.20996   10094.21094
  10010.0    0.0000999   10089.71875   10089.71875
  10112.0    0.0000989   10085.24121   10085.24219
  10236.0    0.0000977   10080.77734   10080.77832
  10149.0    0.0000985   10076.32812   10076.32910
  10208.0    0.0000980   10071.89258   10071.89355
  10232.0    0.0000977   10067.47070   10067.47168
  10185.0    0.0000982   10063.06348   10063.06348
  10089.0    0.0000991   10058.66895   10058.66895
  10124.0    0.0000988   10054.28809   10054.28906
  9963.0     0.0001004   10049.92090   10049.92090
  10031.0    0.0000997   10045.56641   10045.56738
  10191.0    0.0000981   10041.22559   10041.22559
  10180.0    0.0000982   10036.89648   10036.89746
  10145.0    0.0000986   10032.58203   10032.58301
  9925.0     0.0001008   10028.27930   10028.28027
  9960.0     0.0001004   10023.99023   10023.99121
  10010.0    0.0000999   10019.71387   10019.71387
  10135.0    0.0000987   10015.44922   10015.45020
  10113.0    0.0000989   10011.19727   10011.19824
  10022.0    0.0000998   10006.95801   10006.95801
  10099.0    0.0000990   10002.73047   10002.73145
  10189.0    0.0000981   9998.51562    9998.51660
  10261.0    0.0000975   9994.31250    9994.31348
  10023.0    0.0000998   9990.12109    9990.12207
  9824.0     0.0001018   9985.94141    9985.94238
  9937.0     0.0001006   9981.77441    9981.77539
  9948.0     0.0001005   9977.61816    9977.61914
  10145.0    0.0000986   9973.47461    9973.47461
  9971.0     0.0001003   9969.34082    9969.34180
  9960.0     0.0001004   9965.21875    9965.21973
  10035.0    0.0000997   9961.10938    9961.10938
  10091.0    0.0000991   9957.00977    9957.00977
  10101.0    0.0000990   9952.92188    9952.92188
  10048.0    0.0000995   9948.84473    9948.84473
  10030.0    0.0000997   9944.77832    9944.77832
  10024.0    0.0000998   9940.72266    9940.72266
  9919.0     0.0001008   9936.67773    9936.67773
  10057.0    0.0000994   9932.64355    9932.64355
  9999.0     0.0001000   9928.61914    9928.62012
  10052.0    0.0000995   9924.60645    9924.60645
  10037.0    0.0000996   9920.60254    9920.60352
  9838.0     0.0001016   9916.61035    9916.61035
  9846.0     0.0001016   9912.62793    9912.62793
  9991.0     0.0001001   9908.65430    9908.65527
  9882.0     0.0001012   9904.69238    9904.69238
  9882.0     0.0001012   9900.73926    9900.74023
  10005.0    0.0001000   9896.79590    9896.79688
  10031.0    0.0000997   9892.86328    9892.86328
  9767.0     0.0001024   9888.93945    9888.93945
  9750.0     0.0001026   9885.02539    9885.02539
  9879.0     0.0001012   9881.12012    9881.12012
  9934.0     0.0001007   9877.22461    9877.22559
  9900.0     0.0001010   9873.33887    9873.33887
  9792.0     0.0001021   9869.46094    9869.46191
  10013.0    0.0000999   9865.59375    9865.59375
  9845.0     0.0001016   9861.73438    9861.73535
  9903.0     0.0001010   9857.88477    9857.88574
  9715.0     0.0001029   9854.04395    9854.04395
  9760.0     0.0001025   9850.21094    9850.21191
  9700.0     0.0001031   9846.38770    9846.38770
  9887.0     0.0001011   9842.57227    9842.57227
  9890.0     0.0001011   9838.76562    9838.76660
  9845.0     0.0001016   9834.96777    9834.96777
  9706.0     0.0001030   9831.17773    9831.17871
  9989.0     0.0001001   9827.39648    9827.39648
  9848.0     0.0001015   9823.62305    9823.62305
  9799.0     0.0001021   9819.85742    9819.85840
  9866.0     0.0001014   9816.10059    9816.10059
  9826.0     0.0001018   9812.35156    9812.35156
  9705.0     0.0001030   9808.61035    9808.61035
  9892.0     0.0001011   9804.87695    9804.87695
  9737.0     0.0001027   9801.15039    9801.15137
  9965.0     0.0001004   9797.43262    9797.43262
  9751.0     0.0001026   9793.72266    9793.72266
  9928.0     0.0001007   9790.01953    9790.01953
  9724.0     0.0001028   9786.32422    9786.32422
  9724.0     0.0001028   9782.63574    9782.63574
  9716.0     0.0001029   9778.95410    9778.95508
  9857.0     0.0001015   9775.28027    9775.28125
  9843.0     0.0001016   9771.61426    9771.61426
  9590.0     0.0001043   9767.95508    9767.95508
  9750.0     0.0001026   9764.30176    9764.30273
  9920.0     0.0001008   9760.65625    9760.65625
  9745.0     0.0001026   9757.01758    9757.01758
  9844.0     0.0001016   9753.38574    9753.38574
  9768.0     0.0001024   9749.76074    9749.76074
  9826.0     0.0001018   9746.14160    9746.14160
  9833.0     0.0001017   9742.52930    9742.53027
  9697.0     0.0001031   9738.92383    9738.92383
  9790.0     0.0001021   9735.32422    9735.32520
  9753.0     0.0001025   9731.73242    9731.73242
  9778.0     0.0001023   9728.14551    9728.14551
  9831.0     0.0001017   9724.56543    9724.56543
  9755.0     0.0001025   9720.99121    9720.99121
  9545.0     0.0001048   9717.42285    9717.42285
  9823.0     0.0001018   9713.86133    9713.86133
  9811.0     0.0001019   9710.30469    9710.30469
  9877.0     0.0001012   9706.75488    9706.75488
  9753.0     0.0001025   9703.20996    9703.21094
  9662.0     0.0001035   9699.67188    9699.67188
  9898.0     0.0001010   9696.13867    9696.13965
  9724.0     0.0001028   9692.61230    9692.61230
  9688.0     0.0001032   9689.08984    9689.09082
  9699.0     0.0001031   9685.57422    9685.57422
  9669.0     0.0001034   9682.06348    9682.06348
  9797.0     0.0001021   9678.55762    9678.55859
  9793.0     0.0001021   9675.05859    9675.05859
  9776.0     0.0001023   9671.56348    9671.56348
  9622.0     0.0001039   9668.07422    9668.07422
  9605.0     0.0001041   9664.58984    9664.58984
  9680.0     0.0001033   9661.11035    9661.11035
  9707.0     0.0001030   9657.63574    9657.63574
  9649.0     0.0001036   9654.16699    9654.16699
  9790.0     0.0001021   9650.70215    9650.70215
  9569.0     0.0001045   9647.24316    9647.24316
  9611.0     0.0001040   9643.78809    9643.78809
  9728.0     0.0001028   9640.33789    9640.33789
  9710.0     0.0001030   9636.89258    9636.89258
  9758.0     0.0001025   9633.45215    9633.45215
  9764.0     0.0001024   9630.01562    9630.01562
  9681.0     0.0001033   9626.58398    9626.58398
  9700.0     0.0001031   9623.15723    9623.15723
  9575.0     0.0001044   9619.73340    9619.73340
  9595.0     0.0001042   9616.31543    9616.31543
  9587.0     0.0001043   9612.90137    9612.90137
  9424.0     0.0001061   9609.49121    9609.49121
  9506.0     0.0001052   9606.08496    9606.08496
  9750.0     0.0001026   9602.68359    9602.68359
  9628.0     0.0001039   9599.28613    9599.28613
  9492.0     0.0001054   9595.89160    9596.86523
  9422.0     0.0001061   9592.50195    9593.51270
  9620.0     0.0001040   9589.11621    9590.16504
  9858.0     0.0001014   9585.73438    9586.82324
  9568.0     0.0001045   9582.35645    9583.48926
  9566.0     0.0001045   9578.98145    9580.15918
  9561.0     0.0001046   9575.61133    9576.83789
  9759.0     0.0001025   9572.24414    9573.52246
  9686.0     0.0001032   9568.88086    9570.21387
  9433.0     0.0001060   9565.52051    9566.91211
  9531.0     0.0001049   9562.16406    9563.61816
  9766.0     0.0001024   9558.81152    9560.33301
  9617.0     0.0001040   9555.46191    9557.05469
  9546.0     0.0001048   9552.11523    9553.78516
  9607.0     0.0001041   9548.77246    9550.52441
  9539.0     0.0001048   9545.43262    9547.27344
  9548.0     0.0001047   9542.09668    9544.03418
  9777.0     0.0001023   9538.76270    9540.80371
  9539.0     0.0001048   9535.43262    9537.58594
  9477.0     0.0001055   9532.10547    9534.38184
  9581.0     0.0001044   9528.78125    9531.19043
  9661.0     0.0001035   9525.45996    9528.01465
  9449.0     0.0001058   9522.14160    9524.85547
  9484.0     0.0001054   9518.82715    9521.71582
  9429.0     0.0001061   9515.51367    9518.59473
  9333.0     0.0001071   9512.20410    9515.49805
  9443.0     0.0001059   9508.89746    9512.42773
  9496.0     0.0001053   9505.59277    9509.38672
  9416.0     0.0001062   9502.29199    9506.37988
  9357.0     0.0001069   9498.99219    9503.41309
  9482.0     0.0001055   9495.69629    9500.49121
  9378.0     0.0001066   9492.40234    9497.62695
  9549.0     0.0001047   9489.11035    9494.82617
  9604.0     0.0001041   9485.82227    9492.10840
  9447.0     0.0001059   9482.53516    9489.50098
  9407.0     0.0001063   9479.25098    9487.05469
  9494.0     0.0001053   9475.96875    9484.88281
  9429.0     0.0001061   9472.68945    9483.21289
  9630.0     0.0001038   9469.41211    9482.46387
  9482.0     0.0001055   9466.13672    9483.31055
  9552.0     0.0001047   9462.86426    9486.67090
  9604.0     0.0001041   9459.59277    9493.58008
  9454.0     0.0001058   9456.32422    9504.95508
  9504.0     0.0001052   9453.05762    9521.36523
  9300.0     0.0001075   9449.79297    9543.00000
  9513.0     0.0001051   9446.53027    9569.87891
  9819.0     0.0001018   9443.26953    9602.13184
  9521.0     0.0001050   9440.01074    9640.27637
  9737.0     0.0001027   9436.75293    9685.43750
  9612.0     0.0001040   9433.49805    9739.63867
  9595.0     0.0001042   9430.24414    9806.27344
  10045.0    0.0000996   9426.99219    9890.66992
  9993.0     0.0001001   9423.74219    10000.13281
  10045.0    0.0000996   9420.49414    10141.87891
  10284.0    0.0000972   9417.24707    10317.01367
  10321.0    0.0000969   9414.00195    10510.99609
  10575.0    0.0000946   9410.75879    10686.20801
  10759.0    0.0000929   9407.51660    10785.85449
  10621.0    0.0000942   9404.27637    10755.09082
  10741.0    0.0000931   9401.03711    10577.70703
  10336.0    0.0000967   9397.79883    10302.20801
  9994.0     0.0001001   9394.56250    10011.20020
  9904.0     0.0001010   9391.32812    9768.52930
  9660.0     0.0001035   9388.09375    9599.70215
  9475.0     0.0001055   9384.86230    9498.75391
  9308.0     0.0001074   9381.63086    9445.01758
  9337.0     0.0001071   9378.40137    9417.86914
  9627.0     0.0001039   9375.17285    9403.35938
  9395.0     0.0001064   9371.94434    9394.19629
  9281.0     0.0001077   9368.71875    9387.24414
  9321.0     0.0001073   9365.49316    9381.32031
  9412.0     0.0001062   9362.26953    9375.98535
  9264.0     0.0001079   9359.04590    9371.05664
  9361.0     0.0001068   9355.82324    9366.42871
  9282.0     0.0001077   9352.60254    9362.03613
  9428.0     0.0001061   9349.38281    9357.82910
  9212.0     0.0001086   9346.16309    9353.77051
  9448.0     0.0001058   9342.94434    9349.83105
  9241.0     0.0001082   9339.72656    9345.99121
  9249.0     0.0001081   9336.51074    9342.23340
  9279.0     0.0001078   9333.29492    9338.54395
  9117.0     0.0001097   9330.07910    9334.91211
  9414.0     0.0001062   9326.86523    9331.32812
  9319.0     0.0001073   9323.65137    9327.78613
  9358.0     0.0001069   9320.43848    9324.28027
  9108.0     0.0001098   9317.22559    9320.80469
  9261.0     0.0001080   9314.01465    9317.35547
  9303.0     0.0001075   9310.80371    9313.93066
  9330.0     0.0001072   9307.59277    9310.52637
  9271.0     0.0001079   9304.38281    9307.14062
  9122.0     0.0001096   9301.17383    9303.76953
  9338.0     0.0001071   9297.96484    9300.41406
  9402.0     0.0001064   9294.75684    9297.07031
  9127.0     0.0001096   9291.54883    9293.73828
  9198.0     0.0001087   9288.34082    9290.41699
  9381.0     0.0001066   9285.13379    9287.10352
  9391.0     0.0001065   9281.92676    9283.79883
  9202.0     0.0001087   9278.72070    9280.50293
  9186.0     0.0001089   9275.51465    9277.21191
  9252.0     0.0001081   9272.30859    9273.92773
  9260.0     0.0001080   9269.10352    9270.64941
  9077.0     0.0001102   9265.89844    9267.37500
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  2727.0     0.000367    2500.02026    2773.34082
  2698.0     0.000371    2498.37598    2774.08740
  2755.0     0.000363    2496.73096    2774.70410
  2743.0     0.000365    2495.08398    2775.40381
  2719.0     0.000368    2493.43652    2776.37451
  2736.0     0.000365    2491.78687    2777.71558
  2777.0     0.000360    2490.13647    2779.42090
  2792.0     0.000358    2488.48486    2781.41333
  2685.0     0.000372    2486.83130    2783.61499
  2746.0     0.000364    2485.17651    2785.98804
  2754.0     0.000363    2483.52002    2788.56152
  2903.0     0.0003445   2481.86279    2791.38257
  2746.0     0.000364    2480.20337    2794.52588
  2745.0     0.000364    2478.54297    2798.07446
  2753.0     0.000363    2476.88135    2802.17749
  2772.0     0.000361    2475.21729    2807.04370
  2813.0     0.000355    2473.55225    2812.91479
  2855.0     0.0003503   2471.88525    2819.88306
  2843.0     0.000352    2470.21729    2828.01318
  2861.0     0.0003495   2468.54688    2837.22266
  2735.0     0.000366    2466.87549    2847.29883
  2933.0     0.0003409   2465.20215    2857.90503
  2813.0     0.000355    2463.52734    2868.64185
  2884.0     0.0003467   2461.85083    2878.52881
  2805.0     0.000357    2460.17236    2887.99365
  2794.0     0.000358    2458.49243    2896.09424
  2756.0     0.000363    2456.81006    2902.49194
  2892.0     0.0003458   2455.12646    2906.79956
  2864.0     0.0003492   2453.44092    2908.90063
  2810.0     0.000356    2451.75366    2908.85596
  2879.0     0.0003473   2450.06421    2906.95850
  2889.0     0.0003461   2448.37329    2903.71655
  2772.0     0.000361    2446.68042    2899.81738
  2740.0     0.000365    2444.98511    2895.93604
  2872.0     0.0003482   2443.28857    2893.00879
  2800.0     0.000357    2441.58936    2891.58594
  2850.0     0.000351    2439.88843    2892.13208
  2727.0     0.000367    2438.18506    2894.89551
  2849.0     0.000351    2436.48047    2899.89160
  2855.0     0.0003503   2434.77344    2906.95044
  2820.0     0.000355    2433.06372    2915.71387
  2847.0     0.000351    2431.35278    2925.69214
  2919.0     0.0003426   2429.63867    2936.21191
  2893.0     0.0003457   2427.92310    2946.42310
  2960.0     0.0003378   2426.20483    2955.36108
  2869.0     0.0003486   2424.48486    2961.87915
  2913.0     0.0003433   2422.76196    2965.07397
  2941.0     0.0003400   2421.03735    2964.21387
  2826.0     0.000354    2419.31055    2958.81006
  2910.0     0.0003436   2417.58057    2948.60522
  2800.0     0.000357    2415.84863    2933.58691
  2819.0     0.000355    2414.11401    2913.98438
  2883.0     0.0003469   2412.37744    2890.34644
  2855.0     0.0003503   2410.63770    2863.16650
  2797.0     0.000358    2408.89624    2833.46045
  2727.0     0.000367    2407.15161    2801.71387
  2834.0     0.000353    2405.40479    2768.92236
  2707.0     0.000369    2403.65552    2735.90088
  2680.0     0.000373    2401.90332    2703.44287
  2643.0     0.000378    2400.14868    2672.30469
  2759.0     0.000362    2398.39062    2643.07373
  2562.0     0.000390    2396.63086    2616.29883
  2607.0     0.000384    2394.86743    2592.52222
  2607.0     0.000384    2393.10205    2571.74438
  2510.0     0.000398    2391.33374    2554.27710
  2585.0     0.000387    2389.56201    2540.19092
  2546.0     0.000393    2387.78784    2529.50122
  2647.0     0.000378    2386.01025    2522.16553
  2543.0     0.000393    2384.23071    2518.00537
  2576.0     0.000388    2382.44702    2516.91138
  2574.0     0.000389    2380.66113    2518.70337
  2592.0     0.000386    2378.87158    2523.16870
  2526.0     0.000396    2377.07983    2530.05518
  2542.0     0.000393    2375.28467    2539.06055
  2559.0     0.000391    2373.48560    2549.83765
  2650.0     0.000377    2371.68433    2561.98608
  2571.0     0.000389    2369.87915    2575.07202
  2608.0     0.000383    2368.07104    2588.61890
  2605.0     0.000384    2366.25928    2602.14380
  2633.0     0.000380    2364.44507    2615.16235
  2620.0     0.000382    2362.62646    2627.23608
  2599.0     0.000385    2360.80518    2638.08472
  2697.0     0.000371    2358.98071    2647.25977
  2658.0     0.000376    2357.15186    2654.73340
  2668.0     0.000375    2355.32007    2660.49243
  2687.0     0.000372    2353.48462    2664.63574
  2669.0     0.000375    2351.64575    2667.32202
  2710.0     0.000369    2349.80249    2668.73169
  2726.0     0.000367    2347.95679    2669.04590
  2600.0     0.000385    2346.10693    2668.41528
  2711.0     0.000369    2344.25293    2666.97852
  2698.0     0.000371    2342.39551    2664.78247
  2695.0     0.000371    2340.53418    2661.91748
  2694.0     0.000371    2338.66919    2659.03125
  2718.0     0.000368    2336.79956    2655.99170
  2620.0     0.000382    2334.92725    2652.90430
  2559.0     0.000391    2333.04980    2649.82129
  2703.0     0.000370    2331.16895    2646.78223
  2702.0     0.000370    2329.28442    2643.77759
  2649.0     0.000378    2327.39502    2640.84741
  2607.0     0.000384    2325.50195    2638.04102
  2573.0     0.000389    2323.60425    2635.40405
  2648.0     0.000378    2321.70288    2632.97241
  2649.0     0.000378    2319.79663    2630.76538
  2564.0     0.000390    2317.88672    2628.78003
  2683.0     0.000373    2315.97168    2626.98633
  2678.0     0.000373    2314.05322    2625.29834
  2541.0     0.000394    2312.13013    2623.62549
  2587.0     0.000387    2310.20190    2621.83569
  2554.0     0.000392    2308.27002    2619.78247
  2603.0     0.000384    2306.33252    2617.31494
  2567.0     0.000390    2304.39111    2614.40015
  2614.0     0.000383    2302.44482    2610.80103
  2672.0     0.000374    2300.49414    2606.58398
  2692.0     0.000371    2298.53857    2601.73047
  2605.0     0.000384    2296.57764    2596.55957
  2662.0     0.000376    2294.61279    2590.34546
  2681.0     0.000373    2292.64233    2583.29712
  2590.0     0.000386    2290.66724    2575.37158
  2598.0     0.000385    2288.68701    2566.47705
  2591.0     0.000386    2286.70215    2556.58301
  2589.0    .            .             .

_pd_meas_number_of_points              5750
_pd_proc_number_of_points              5750

#  4   7   3  3 o  1092.542   1095.880   180.00   0.89142   0.00
#  1   3  11  2 o  1709.113   1718.025   180.00   0.89076   0.00
#  4   4   4  3 o  6047.522   5988.893    0.00    0.89068   0.02
#  3   5   5  3 o  289.873    282.550    180.00   0.89060   0.00
#  4   2  10  2 o  3315.839   3224.624   180.00   0.89054   0.00
#  8   6   3  2 o  6322.880   5720.744    0.00    0.88998   0.00
#  5   7   4  2 o  759.556    684.823    180.00   0.88990   0.00

_reflns_number_total                   892
_reflns_limit_h_min                    0
_reflns_limit_h_max                    14
_reflns_limit_k_min                    0
_reflns_limit_k_max                    6
_reflns_limit_l_min                    -20
_reflns_limit_l_max                    18
_reflns_d_resolution_high              0.890
_reflns_d_resolution_low               8.673
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
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