Data quality metrics extracted from 6p89.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "d8731733e31773ba8d9d27df26f84a8e",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 96.793,
    "b": 96.793,
    "c": 216.305,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.660,1.400],
    "number_observations": 2054596,
    "number_observations_unique": 230549,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "R(meas)",
        "value": 0.068
      },
      {
        "type": "R(pim)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 17.700
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 8.900
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.420,1.400],
      "number_observations": 100943,
      "number_observations_unique": 11327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.624
        },
        {
          "type": "R(meas)",
          "value": 1.724
        },
        {
          "type": "R(pim)",
          "value": 0.576
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.483
        }
      ]
    },
    {
      "resolution_limits": [54.660,7.670],
      "number_observations": 12937,
      "number_observations_unique": 1600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "R(meas)",
          "value": 0.021
        },
        {
          "type": "R(pim)",
          "value": 0.007
        },
        {
          "type": "I/SigI",
          "value": 66.200
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 8.100
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):

  Overall InnerShell
Low resolution limit [Å] 54.660 54.660
High resolution limit [Å] 1.400 7.670
R(merge) 0.0640 0.0200
R(meas) 0.0680 0.0210
R(pim) 0.0230 0.0070
CC(1/2) 1.000 1.000
Completeness [%] 100.0 99.4
Multiplicity 8.9 8.1


Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
54.660-7.670 0.0200 0.0210 0.0070 1.000 99.4 8.1
1.420-1.400 1.6240 1.7240 0.5760 0.483 100.0 8.9