Data quality metrics extracted from 2gj9.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": "12c93eee0debc0b32ab59a26cd7bdfa0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.24,
    "b": 70.10,
    "c": 90.21,
    "alpha": 90.00,
    "beta": 95.76,
    "gamma": 90.00
  },
  "wavelengths": [0.81500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.00,2.000],
    "number_observations_unique": 48094,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 8.610
      },
      {
        "type": "Completeness",
        "value": 96.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.00],
      "number_observations": 19507,
      "number_observations_unique": 11255,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.228
        },
        {
          "type": "I/SigI",
          "value": 3.4
        }
      ]
    },
    {
      "resolution_limits": [2.20,2.10],
      "number_observations": 21879,
      "number_observations_unique": 10283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.189
        },
        {
          "type": "I/SigI",
          "value": 4.8
        }
      ]
    },
    {
      "resolution_limits": [2.30,2.20],
      "number_observations": 18048,
      "number_observations_unique": 8457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "I/SigI",
          "value": 6.0
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.30],
      "number_observations": 15814,
      "number_observations_unique": 7347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 6.7
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.40],
      "number_observations": 13355,
      "number_observations_unique": 6190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 7.5
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.50],
      "number_observations": 43286,
      "number_observations_unique": 20044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 8.9
        }
      ]
    },
    {
      "resolution_limits": [4.00,3.00],
      "number_observations": 34281,
      "number_observations_unique": 15856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 12.1
        }
      ]
    },
    {
      "resolution_limits": [5.00,4.00],
      "number_observations": 12183,
      "number_observations_unique": 5630,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 14.1
        }
      ]
    },
    {
      "resolution_limits": [6.00,5.00],
      "number_observations": 5435,
      "number_observations_unique": 2515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 15.8
        }
      ]
    },
    {
      "resolution_limits": [20.00,6.00],
      "number_observations": 5743,
      "number_observations_unique": 2687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 18.3
        }
      ]
    }
  ]

}
  

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


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