Data quality metrics extracted from 2obn.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": "90761be28c44b524444cf90b11ceceb9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 75.09,
    "b": 123.07,
    "c": 75.21,
    "alpha": 90.0,
    "beta": 103.1,
    "gamma": 90.0
  },
  "wavelengths": [1.00000,0.98060,0.98050],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.260,2.300],
    "number_observations_unique": 58378,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 9.710
      },
      {
        "type": "Completeness",
        "value": 93.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.30],
      "number_observations": 15585,
      "number_observations_unique": 9700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 85.60
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.38],
      "number_observations": 17936,
      "number_observations_unique": 11131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.258
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 90.70
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.48],
      "number_observations": 16853,
      "number_observations_unique": 10456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 91.70
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.59],
      "number_observations": 18030,
      "number_observations_unique": 11163,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 93.90
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.73],
      "number_observations": 17756,
      "number_observations_unique": 10994,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Completeness",
          "value": 94.70
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.90],
      "number_observations": 17743,
      "number_observations_unique": 10951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 8.1
        },
        {
          "type": "Completeness",
          "value": 95.80
        }
      ]
    },
    {
      "resolution_limits": [3.43,3.12],
      "number_observations": 18016,
      "number_observations_unique": 11120,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 11.6
        },
        {
          "type": "Completeness",
          "value": 95.90
        }
      ]
    },
    {
      "resolution_limits": [3.93,3.43],
      "number_observations": 17886,
      "number_observations_unique": 11105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 15.1
        },
        {
          "type": "Completeness",
          "value": 94.50
        }
      ]
    },
    {
      "resolution_limits": [29.260,3.93],
      "number_observations": 17773,
      "number_observations_unique": 11053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 19.5
        },
        {
          "type": "Completeness",
          "value": 95.90
        }
      ]
    }
  ]

}
  

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


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