Data quality metrics extracted from 4odh.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": "b11a37cd6643be0b3e7cf85ff6f18441",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 85.456,
    "b": 81.194,
    "c": 69.193,
    "alpha": 90.00,
    "beta": 123.95,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.894],
    "number_observations_unique": 7503,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 85.7
      },
      {
        "type": "Redundancy",
        "value": 2.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.0,2.894],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.368
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 82.8
        },
        {
          "type": "Redundancy",
          "value": 2.2
        }
      ]
    },
    {
      "resolution_limits": [3.12,3.0],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.4
        }
      ]
    },
    {
      "resolution_limits": [3.27,3.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.3
        }
      ]
    },
    {
      "resolution_limits": [3.44,3.27],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.5
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.9
        }
      ]
    },
    {
      "resolution_limits": [3.94,3.65],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.7
        }
      ]
    },
    {
      "resolution_limits": [4.33,3.94],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.3
        }
      ]
    },
    {
      "resolution_limits": [4.96,4.33],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.7
        }
      ]
    },
    {
      "resolution_limits": [6.24,4.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.7
        }
      ]
    },
    {
      "resolution_limits": [50,6.24],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 81.4
        }
      ]
    }
  ]

}
  

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


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