Data quality metrics extracted from 3qjd.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": "a86a704500708ab4ba325ee7b32b0cf1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 62.65,
    "b": 82.07,
    "c": 53.49,
    "alpha": 90.00,
    "beta": 99.51,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.79,1.45],
    "number_observations_unique": 76521,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 13
      },
      {
        "type": "Completeness",
        "value": 80.9
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.45],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 14.2
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.50],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 42.0
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.56],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 71.7
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.63],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.9
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.72],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.0
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.83],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.7
        }
      ]
    },
    {
      "resolution_limits": [2.16,1.97],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.16],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [61.79,3.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    }
  ]

}
  

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


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