Data quality metrics extracted from 1yjk.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": "391428ca194c84243f48d3a47df915ca",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 59.146,
    "b": 66.335,
    "c": 69.917,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.22,2.00],
    "number_observations_unique": 19100,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 4.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.00],
      "number_observations": 12780,
      "number_observations_unique": 2746,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.90
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.11],
      "number_observations": 12113,
      "number_observations_unique": 2610,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.87
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.24],
      "number_observations": 11295,
      "number_observations_unique": 2440,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.98
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations": 10559,
      "number_observations_unique": 2310,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.91
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.58],
      "number_observations": 9637,
      "number_observations_unique": 2117,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.80
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.83],
      "number_observations": 8732,
      "number_observations_unique": 1941,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.16],
      "number_observations": 7422,
      "number_observations_unique": 1703,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.81
        }
      ]
    },
    {
      "resolution_limits": [4.47,3.65],
      "number_observations": 5789,
      "number_observations_unique": 1435,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.15
        }
      ]
    },
    {
      "resolution_limits": [6.32,4.47],
      "number_observations": 5341,
      "number_observations_unique": 1157,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.38
        }
      ]
    },
    {
      "resolution_limits": [48.22,6.32],
      "number_observations": 2678,
      "number_observations_unique": 641,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.24
        }
      ]
    }
  ]

}
  

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


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