Data quality metrics extracted from 3bus.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": "5dd2d1990f0e59757ce409c7f22a6e5b",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 119.153,
    "b": 119.153,
    "c": 84.412,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98040],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.650],
    "number_observations_unique": 17746,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 13.600
      },
      {
        "type": "Completeness",
        "value": 97.200
      },
      {
        "type": "Redundancy",
        "value": 25.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.65],
      "number_observations_unique": 1444,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.382
        },
        {
          "type": "Completeness",
          "value": 81.30
        },
        {
          "type": "Redundancy",
          "value": 14.50
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.74],
      "number_observations_unique": 1665,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "Completeness",
          "value": 93.20
        },
        {
          "type": "Redundancy",
          "value": 17.50
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.85],
      "number_observations_unique": 1773,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.304
        },
        {
          "type": "Completeness",
          "value": 99.20
        },
        {
          "type": "Redundancy",
          "value": 23.40
        }
      ]
    },
    {
      "resolution_limits": [3.14,2.98],
      "number_observations_unique": 1801,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.238
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 28.40
        }
      ]
    },
    {
      "resolution_limits": [3.34,3.14],
      "number_observations_unique": 1771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 29.30
        }
      ]
    },
    {
      "resolution_limits": [3.60,3.34],
      "number_observations_unique": 1794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "Completeness",
          "value": 99.70
        },
        {
          "type": "Redundancy",
          "value": 29.30
        }
      ]
    },
    {
      "resolution_limits": [3.96,3.60],
      "number_observations_unique": 1826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 29.10
        }
      ]
    },
    {
      "resolution_limits": [4.53,3.96],
      "number_observations_unique": 1832,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 28.90
        }
      ]
    },
    {
      "resolution_limits": [5.71,4.53],
      "number_observations_unique": 1866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 28.50
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.71],
      "number_observations_unique": 1974,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "Completeness",
          "value": 99.20
        },
        {
          "type": "Redundancy",
          "value": 26.60
        }
      ]
    }
  ]

}
  

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


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