Data quality metrics extracted from 2oil.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": "498051b4a8b39f5e216db622b4456026",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 90.250,
    "b": 90.250,
    "c": 45.598,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.300],
    "number_observations_unique": 8824,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.146
      },
      {
        "type": "I/SigI",
        "value": 6.900
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 12.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.30],
      "number_observations_unique": 860,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.754
        },
        {
          "type": "Redundancy",
          "value": 13.00
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.38],
      "number_observations_unique": 844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.629
        },
        {
          "type": "Redundancy",
          "value": 13.00
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.48],
      "number_observations_unique": 869,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.54
        },
        {
          "type": "Redundancy",
          "value": 13.10
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.59],
      "number_observations_unique": 858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.414
        },
        {
          "type": "Redundancy",
          "value": 13.10
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.73],
      "number_observations_unique": 866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.313
        },
        {
          "type": "Redundancy",
          "value": 13.20
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.90],
      "number_observations_unique": 871,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "Redundancy",
          "value": 13.10
        }
      ]
    },
    {
      "resolution_limits": [3.43,3.12],
      "number_observations_unique": 877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "Redundancy",
          "value": 13.00
        }
      ]
    },
    {
      "resolution_limits": [3.93,3.43],
      "number_observations_unique": 893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "Redundancy",
          "value": 12.70
        }
      ]
    },
    {
      "resolution_limits": [4.95,3.93],
      "number_observations_unique": 906,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [30.00,4.95],
      "number_observations_unique": 980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "Redundancy",
          "value": 11.70
        }
      ]
    }
  ]

}
  

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


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