Data quality metrics extracted from 4h76.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": "7af617f646265ae1a63d54e56b2f50fc",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 69.92,
    "b": 62.89,
    "c": 37.70,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.5],
    "number_observations_unique": 27420,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 14.21
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 7.98
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.50],
      "number_observations_unique": 4379,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.094
        },
        {
          "type": "I/SigI",
          "value": 2.50
        },
        {
          "type": "Redundancy",
          "value": 7.92
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.59],
      "number_observations_unique": 4105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.690
        },
        {
          "type": "I/SigI",
          "value": 4.03
        },
        {
          "type": "Redundancy",
          "value": 8.11
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.70],
      "number_observations_unique": 3841,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.438
        },
        {
          "type": "I/SigI",
          "value": 6.07
        },
        {
          "type": "Redundancy",
          "value": 8.11
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.83],
      "number_observations_unique": 3557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.235
        },
        {
          "type": "I/SigI",
          "value": 10.26
        },
        {
          "type": "Redundancy",
          "value": 8.11
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.01],
      "number_observations_unique": 3225,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 15.66
        },
        {
          "type": "Redundancy",
          "value": 8.08
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.24],
      "number_observations_unique": 2866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 20.88
        },
        {
          "type": "Redundancy",
          "value": 8.04
        }
      ]
    },
    {
      "resolution_limits": [3.17,2.59],
      "number_observations_unique": 2463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 28.96
        },
        {
          "type": "Redundancy",
          "value": 7.91
        }
      ]
    },
    {
      "resolution_limits": [4.47,3.17],
      "number_observations_unique": 1928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 38.65
        },
        {
          "type": "Redundancy",
          "value": 7.61
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.47],
      "number_observations_unique": 1147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 40.90
        },
        {
          "type": "Redundancy",
          "value": 7.13
        }
      ]
    }
  ]

}
  

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


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