Data quality metrics extracted from 2ajd.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": "8239715e6fc445b2b77815b45b600113",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 63.40,
    "b": 122.07,
    "c": 134.03,
    "alpha": 111.41,
    "beta": 95.27,
    "gamma": 94.52
  },
  "wavelengths": [1.05000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.00,2.56],
    "number_observations_unique": 115689,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "Completeness",
        "value": 97.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.65,2.56],
      "number_observations": 11581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.65],
      "number_observations": 11545,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        }
      ]
    },
    {
      "resolution_limits": [2.88,2.76],
      "number_observations": 11562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.88],
      "number_observations": 11586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        }
      ]
    },
    {
      "resolution_limits": [3.23,3.04],
      "number_observations": 11591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.23],
      "number_observations": 11577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        }
      ]
    },
    {
      "resolution_limits": [3.82,3.47],
      "number_observations": 11631,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        }
      ]
    },
    {
      "resolution_limits": [4.38,3.82],
      "number_observations": 11588,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        }
      ]
    },
    {
      "resolution_limits": [5.52,4.38],
      "number_observations": 11623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        }
      ]
    },
    {
      "resolution_limits": [99.00,5.52],
      "number_observations": 11405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        }
      ]
    }
  ]

}
  

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


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