Data quality metrics extracted from 3drk.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": "35b5d74f144d0fdf907d383ac3bc2d67",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.622,
    "b": 123.126,
    "c": 59.281,
    "alpha": 90.00,
    "beta": 102.31,
    "gamma": 90.00
  },
  "wavelengths": [0.93100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.18,1.700],
    "number_observations_unique": 54564,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 11.010
      },
      {
        "type": "Completeness",
        "value": 90.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.81,1.70],
      "number_observations": 16013,
      "number_observations_unique": 7505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.405
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 76.50
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.81],
      "number_observations": 19609,
      "number_observations_unique": 8380,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.304
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 91.80
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.93],
      "number_observations": 17715,
      "number_observations_unique": 7636,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 5.9
        },
        {
          "type": "Completeness",
          "value": 89.20
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.09],
      "number_observations": 17657,
      "number_observations_unique": 7523,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "I/SigI",
          "value": 8.7
        },
        {
          "type": "Completeness",
          "value": 95.70
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.28],
      "number_observations": 15333,
      "number_observations_unique": 6571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 11.6
        },
        {
          "type": "Completeness",
          "value": 92.80
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.55],
      "number_observations": 13142,
      "number_observations_unique": 5684,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 16.2
        },
        {
          "type": "Completeness",
          "value": 90.20
        }
      ]
    },
    {
      "resolution_limits": [3.60,2.94],
      "number_observations": 12102,
      "number_observations_unique": 5144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 22.1
        },
        {
          "type": "Completeness",
          "value": 96.20
        }
      ]
    },
    {
      "resolution_limits": [5.07,3.60],
      "number_observations": 9290,
      "number_observations_unique": 3932,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 26.9
        },
        {
          "type": "Completeness",
          "value": 95.30
        }
      ]
    },
    {
      "resolution_limits": [42.18,5.07],
      "number_observations": 5032,
      "number_observations_unique": 2189,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 27.9
        },
        {
          "type": "Completeness",
          "value": 93.40
        }
      ]
    }
  ]

}
  

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


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