Data quality metrics extracted from 4joj.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": "e68a6f3e1faf1180d436e0ca3b098edc",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 36.183,
    "b": 48.061,
    "c": 97.606,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.61,1.20],
    "number_observations_unique": 53214,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 13.28
      },
      {
        "type": "Completeness",
        "value": 98.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.26,1.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.428
        },
        {
          "type": "I/SigI",
          "value": 3.86
        },
        {
          "type": "Completeness",
          "value": 95.7
        }
      ]
    },
    {
      "resolution_limits": [1.35,1.27],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "I/SigI",
          "value": 5.50
        },
        {
          "type": "Completeness",
          "value": 98.2
        }
      ]
    },
    {
      "resolution_limits": [1.46,1.36],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "I/SigI",
          "value": 7.88
        },
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.47],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 11.53
        },
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.61],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 15.64
        },
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [2.06,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 20.40
        },
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    }
  ]

}
  

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


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