Data quality metrics extracted from 2rdq.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": "2eb0e59dfb9a40628f23fb72e1d61476",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.817,
    "b": 70.869,
    "c": 48.769,
    "alpha": 90.00,
    "beta": 98.21,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.000,1.310],
    "number_observations_unique": 64628,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 8.300
      },
      {
        "type": "Completeness",
        "value": 83.300
      },
      {
        "type": "Redundancy",
        "value": 1.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.36,1.31],
      "number_observations_unique": 11765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "Completeness",
          "value": 85.90
        },
        {
          "type": "Redundancy",
          "value": 1.40
        }
      ]
    },
    {
      "resolution_limits": [1.41,1.36],
      "number_observations_unique": 11751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "Completeness",
          "value": 86.30
        },
        {
          "type": "Redundancy",
          "value": 1.40
        }
      ]
    },
    {
      "resolution_limits": [1.48,1.41],
      "number_observations_unique": 11819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "Completeness",
          "value": 86.10
        },
        {
          "type": "Redundancy",
          "value": 1.40
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.48],
      "number_observations_unique": 11611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "Completeness",
          "value": 85.60
        },
        {
          "type": "Redundancy",
          "value": 1.40
        }
      ]
    },
    {
      "resolution_limits": [1.65,1.55],
      "number_observations_unique": 11689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "Completeness",
          "value": 85.30
        },
        {
          "type": "Redundancy",
          "value": 1.50
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.65],
      "number_observations_unique": 11499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "Completeness",
          "value": 84.20
        },
        {
          "type": "Redundancy",
          "value": 1.50
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.78],
      "number_observations_unique": 11355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "Completeness",
          "value": 82.90
        },
        {
          "type": "Redundancy",
          "value": 1.50
        }
      ]
    },
    {
      "resolution_limits": [2.24,1.96],
      "number_observations_unique": 11169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "Completeness",
          "value": 81.80
        },
        {
          "type": "Redundancy",
          "value": 1.50
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.24],
      "number_observations_unique": 10921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "Completeness",
          "value": 79.90
        },
        {
          "type": "Redundancy",
          "value": 1.50
        }
      ]
    },
    {
      "resolution_limits": [35.00,2.82],
      "number_observations_unique": 10220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "Completeness",
          "value": 74.80
        },
        {
          "type": "Redundancy",
          "value": 1.60
        }
      ]
    }
  ]

}
  

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


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