Data quality metrics extracted from 4h1x.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": "44dc3e96d7435ee466d4960d090e131e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.743,
    "b": 61.624,
    "c": 67.227,
    "alpha": 90.0,
    "beta": 120.3,
    "gamma": 90.0
  },
  "wavelengths": [0.97922,0.91837,0.97883],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.482,1.77],
    "number_observations_unique": 23737,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 11.240
      },
      {
        "type": "Completeness",
        "value": 88.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.830,1.770],
      "number_observations": 7441,
      "number_observations_unique": 4115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.339
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 88.100
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.830],
      "number_observations": 8375,
      "number_observations_unique": 4715,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 87.700
        }
      ]
    },
    {
      "resolution_limits": [1.990,1.910],
      "number_observations": 5950,
      "number_observations_unique": 3627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 79.400
        }
      ]
    },
    {
      "resolution_limits": [2.100,1.990],
      "number_observations": 8345,
      "number_observations_unique": 4530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 6.5
        },
        {
          "type": "Completeness",
          "value": 88.900
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.100],
      "number_observations": 8340,
      "number_observations_unique": 4532,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 9.4
        },
        {
          "type": "Completeness",
          "value": 93.200
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.230],
      "number_observations": 8244,
      "number_observations_unique": 4527,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 11.2
        },
        {
          "type": "Completeness",
          "value": 92.200
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.400],
      "number_observations": 7788,
      "number_observations_unique": 4393,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 12.6
        },
        {
          "type": "Completeness",
          "value": 89.400
        }
      ]
    },
    {
      "resolution_limits": [3.020,2.640],
      "number_observations": 7132,
      "number_observations_unique": 4228,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 16.6
        },
        {
          "type": "Completeness",
          "value": 85.500
        }
      ]
    },
    {
      "resolution_limits": [3.810,3.020],
      "number_observations": 8229,
      "number_observations_unique": 4490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 21.5
        },
        {
          "type": "Completeness",
          "value": 90.800
        }
      ]
    },
    {
      "resolution_limits": [29.482,3.810],
      "number_observations": 7969,
      "number_observations_unique": 4470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 23.5
        },
        {
          "type": "Completeness",
          "value": 89.600
        }
      ]
    }
  ]

}
  

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


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