Data quality metrics extracted from 2hej.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": "6e66a19deaead363e20047e2bdf71cce",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 74.5,
    "b": 53.6,
    "c": 86.5,
    "alpha": 90.0,
    "beta": 94.4,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.13,1.350],
    "number_observations_unique": 142410,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 15.880
      },
      {
        "type": "Completeness",
        "value": 93.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.40,1.35],
      "number_observations": 37992,
      "number_observations_unique": 13486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.263
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 87.90
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.40],
      "number_observations": 115404,
      "number_observations_unique": 40499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 6.6
        },
        {
          "type": "Completeness",
          "value": 92.10
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.60],
      "number_observations": 74984,
      "number_observations_unique": 25721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 12.7
        },
        {
          "type": "Completeness",
          "value": 96.50
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.80],
      "number_observations": 46411,
      "number_observations_unique": 16106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 15.0
        },
        {
          "type": "Completeness",
          "value": 94.50
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.00],
      "number_observations": 93786,
      "number_observations_unique": 21345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 22.0
        },
        {
          "type": "Completeness",
          "value": 95.10
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.50],
      "number_observations": 56873,
      "number_observations_unique": 9506,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 30.1
        },
        {
          "type": "Completeness",
          "value": 95.20
        }
      ]
    },
    {
      "resolution_limits": [4.00,3.00],
      "number_observations": 41065,
      "number_observations_unique": 7414,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 41.6
        },
        {
          "type": "Completeness",
          "value": 93.30
        }
      ]
    },
    {
      "resolution_limits": [5.00,4.00],
      "number_observations": 13199,
      "number_observations_unique": 2635,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 50.5
        },
        {
          "type": "Completeness",
          "value": 91.40
        }
      ]
    },
    {
      "resolution_limits": [10.00,5.00],
      "number_observations": 12639,
      "number_observations_unique": 2376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 45.7
        },
        {
          "type": "Completeness",
          "value": 88.70
        }
      ]
    },
    {
      "resolution_limits": [38.13,10.00],
      "number_observations": 1210,
      "number_observations_unique": 316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 46.2
        },
        {
          "type": "Completeness",
          "value": 78.20
        }
      ]
    }
  ]

}
  

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


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