Data quality metrics extracted from 2gj8.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": "dd3ce628e9bfe404eb7dd91b6c0f713b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.540,
    "b": 70.227,
    "c": 91.300,
    "alpha": 90.00,
    "beta": 95.51,
    "gamma": 90.00
  },
  "wavelengths": [0.93400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.700],
    "number_observations_unique": 79655,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 8.470
      },
      {
        "type": "Completeness",
        "value": 97.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.80,1.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.312
        },
        {
          "type": "I/SigI",
          "value": 3.8
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.247
        },
        {
          "type": "I/SigI",
          "value": 4.6
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "I/SigI",
          "value": 5.7
        }
      ]
    },
    {
      "resolution_limits": [2.20,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 7.3
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1
        },
        {
          "type": "I/SigI",
          "value": 9.2
        }
      ]
    },
    {
      "resolution_limits": [2.60,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "I/SigI",
          "value": 10.1
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 10.8
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 11.2
        }
      ]
    },
    {
      "resolution_limits": [3.50,3.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 12.4
        }
      ]
    },
    {
      "resolution_limits": [4.00,3.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 14.4
        }
      ]
    },
    {
      "resolution_limits": [5.00,4.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 16.2
        }
      ]
    },
    {
      "resolution_limits": [6.00,5.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 17.1
        }
      ]
    },
    {
      "resolution_limits": [20.0,6.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 19.7
        }
      ]
    }
  ]

}
  

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


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