Data quality metrics extracted from 4ekr.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": "640538cfa542c38c60ebf7432ee4e084",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.17,
    "b": 75.63,
    "c": 52.80,
    "alpha": 90.00,
    "beta": 93.21,
    "gamma": 90.00
  },
  "wavelengths": [1.11600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.490],
    "number_observations_unique": 57470,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 15.120
      },
      {
        "type": "Completeness",
        "value": 93.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.570,1.490],
      "number_observations": 22036,
      "number_observations_unique": 8557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "I/SigI",
          "value": 3.060
        },
        {
          "type": "Completeness",
          "value": 95.800
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.570],
      "number_observations": 22219,
      "number_observations_unique": 8542,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "I/SigI",
          "value": 4.380
        },
        {
          "type": "Completeness",
          "value": 95.900
        }
      ]
    },
    {
      "resolution_limits": [1.780,1.670],
      "number_observations": 19045,
      "number_observations_unique": 7256,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.152
        },
        {
          "type": "I/SigI",
          "value": 6.440
        },
        {
          "type": "Completeness",
          "value": 95.500
        }
      ]
    },
    {
      "resolution_limits": [1.920,1.780],
      "number_observations": 18425,
      "number_observations_unique": 6945,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "I/SigI",
          "value": 9.200
        },
        {
          "type": "Completeness",
          "value": 94.800
        }
      ]
    },
    {
      "resolution_limits": [2.110,1.920],
      "number_observations": 17890,
      "number_observations_unique": 6677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 14.130
        },
        {
          "type": "Completeness",
          "value": 93.700
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.110],
      "number_observations": 15404,
      "number_observations_unique": 5707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 21.110
        },
        {
          "type": "Completeness",
          "value": 92.400
        }
      ]
    },
    {
      "resolution_limits": [2.720,2.360],
      "number_observations": 13396,
      "number_observations_unique": 4901,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 27.460
        },
        {
          "type": "Completeness",
          "value": 90.700
        }
      ]
    },
    {
      "resolution_limits": [3.330,2.720],
      "number_observations": 11440,
      "number_observations_unique": 4120,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 32.390
        },
        {
          "type": "Completeness",
          "value": 88.700
        }
      ]
    },
    {
      "resolution_limits": [4.710,3.330],
      "number_observations": 8914,
      "number_observations_unique": 3117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 43.470
        },
        {
          "type": "Completeness",
          "value": 86.400
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.710],
      "number_observations": 4954,
      "number_observations_unique": 1648,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 46.420
        },
        {
          "type": "Completeness",
          "value": 82.000
        }
      ]
    }
  ]

}
  

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


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