Data quality metrics extracted from 2r4i.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": "d7b92d82b45f26ef5c49efb0ba3e9abb",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 56.83,
    "b": 57.69,
    "c": 157.66,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91837,0.97926,0.97904],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.843,1.60],
    "number_observations_unique": 67050,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 14.020
      },
      {
        "type": "Completeness",
        "value": 89.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "number_observations": 18553,
      "number_observations_unique": 11455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.346
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 82.30
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.66],
      "number_observations": 16777,
      "number_observations_unique": 10208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 85.50
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.72],
      "number_observations": 19796,
      "number_observations_unique": 11993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.215
        },
        {
          "type": "I/SigI",
          "value": 3.7
        },
        {
          "type": "Completeness",
          "value": 88.40
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.80],
      "number_observations": 20795,
      "number_observations_unique": 12473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 89.90
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.90],
      "number_observations": 19898,
      "number_observations_unique": 11961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 90.30
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.02],
      "number_observations": 19620,
      "number_observations_unique": 11646,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 11.4
        },
        {
          "type": "Completeness",
          "value": 91.70
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.17],
      "number_observations": 21043,
      "number_observations_unique": 12230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 15.0
        },
        {
          "type": "Completeness",
          "value": 91.60
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.39],
      "number_observations": 21001,
      "number_observations_unique": 11964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 20.1
        },
        {
          "type": "Completeness",
          "value": 91.80
        }
      ]
    },
    {
      "resolution_limits": [28.843,2.73],
      "number_observations": 21989,
      "number_observations_unique": 12165,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 29.3
        },
        {
          "type": "Completeness",
          "value": 91.40
        }
      ]
    }
  ]

}
  

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


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