Data quality metrics extracted from 4hxc.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": "10b5152c9685d1729a44310d2e7e7827",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 91.537,
    "b": 91.537,
    "c": 99.260,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91837,0.97920,0.97868],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.461,2.15],
    "number_observations_unique": 22690,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 9.330
      },
      {
        "type": "Completeness",
        "value": 93.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.230,2.150],
      "number_observations": 7635,
      "number_observations_unique": 4010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 87.700
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.230],
      "number_observations": 7594,
      "number_observations_unique": 4047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.394
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 92.500
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.320],
      "number_observations": 7424,
      "number_observations_unique": 3802,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.290
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 91.600
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.420],
      "number_observations": 8662,
      "number_observations_unique": 4301,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 95.800
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.550],
      "number_observations": 8301,
      "number_observations_unique": 4142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 94.800
        }
      ]
    },
    {
      "resolution_limits": [2.920,2.710],
      "number_observations": 8322,
      "number_observations_unique": 4255,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "I/SigI",
          "value": 6.9
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    },
    {
      "resolution_limits": [3.210,2.920],
      "number_observations": 7715,
      "number_observations_unique": 3974,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 9.9
        },
        {
          "type": "Completeness",
          "value": 92.000
        }
      ]
    },
    {
      "resolution_limits": [3.670,3.210],
      "number_observations": 8369,
      "number_observations_unique": 4121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 15.1
        },
        {
          "type": "Completeness",
          "value": 94.600
        }
      ]
    },
    {
      "resolution_limits": [4.610,3.670],
      "number_observations": 7593,
      "number_observations_unique": 3945,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 20.5
        },
        {
          "type": "Completeness",
          "value": 90.600
        }
      ]
    },
    {
      "resolution_limits": [29.461,4.610],
      "number_observations": 8611,
      "number_observations_unique": 4236,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 23.6
        },
        {
          "type": "Completeness",
          "value": 94.400
        }
      ]
    }
  ]

}
  

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


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