Data quality metrics extracted from 4rlu.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": "a6b0779e9ae4dc2bb8bc6aea266aa141",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 82.376,
    "b": 82.376,
    "c": 141.509,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.198],
    "number_observations_unique": 25514,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 14.1
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 9.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.280,2.198],
      "number_observations_unique": 2503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.419
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.6
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.280],
      "number_observations_unique": 2501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.6
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.370],
      "number_observations_unique": 2509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.5
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.480],
      "number_observations_unique": 2505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.208
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.5
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.610],
      "number_observations_unique": 2540,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.5
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.770],
      "number_observations_unique": 2520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.4
        }
      ]
    },
    {
      "resolution_limits": [3.290,2.990],
      "number_observations_unique": 2556,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.4
        }
      ]
    },
    {
      "resolution_limits": [3.760,3.290],
      "number_observations_unique": 2570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 9.2
        }
      ]
    },
    {
      "resolution_limits": [4.740,3.760],
      "number_observations_unique": 2560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 9.0
        }
      ]
    },
    {
      "resolution_limits": [50.000,4.740],
      "number_observations_unique": 2750,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 8.6
        }
      ]
    }
  ]

}
  

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


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