Data quality metrics extracted from 8h5d.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": "1e0d24c2826382319707a517fc6d0b1a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.753,
    "b": 79.979,
    "c": 99.244,
    "alpha": 90.0,
    "beta": 91.1,
    "gamma": 90.0
  },
  "wavelengths": [1.54200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.35,2.498],
    "number_observations_unique": 25482,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.277
      },
      {
        "type": "I/SigI",
        "value": 12.8
      },
      {
        "type": "Completeness",
        "value": 99.760
      },
      {
        "type": "Redundancy",
        "value": 9.510
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.587,2.498],
      "number_observations_unique": 25482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.535
        }
      ]
    },
    {
      "resolution_limits": [2.691,2.587],
      "number_observations_unique": 23004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.488
        }
      ]
    },
    {
      "resolution_limits": [2.814,2.691],
      "number_observations_unique": 20474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        }
      ]
    },
    {
      "resolution_limits": [2.962,2.814],
      "number_observations_unique": 17919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        }
      ]
    },
    {
      "resolution_limits": [3.147,2.962],
      "number_observations_unique": 15384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.329
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.147],
      "number_observations_unique": 12834,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        }
      ]
    },
    {
      "resolution_limits": [3.732,3.390],
      "number_observations_unique": 10303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        }
      ]
    },
    {
      "resolution_limits": [4.271,3.732],
      "number_observations_unique": 7759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        }
      ]
    },
    {
      "resolution_limits": [5.381,4.271],
      "number_observations_unique": 5175,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        }
      ]
    }
  ]

}
  

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


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