Data quality metrics extracted from 2r1i.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": "0231194c4a826b659cba95740cabb61c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 144.10,
    "b": 40.26,
    "c": 81.27,
    "alpha": 90.00,
    "beta": 123.39,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97929,0.97905],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.746,1.65],
    "number_observations_unique": 46392,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.027
      },
      {
        "type": "I/SigI",
        "value": 13.070
      },
      {
        "type": "Completeness",
        "value": 89.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.71,1.65],
      "number_observations": 5584,
      "number_observations_unique": 7328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.383
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 78.70
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.71],
      "number_observations": 6173,
      "number_observations_unique": 7970,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 84.50
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.78],
      "number_observations": 6115,
      "number_observations_unique": 7890,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.205
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 87.30
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.86],
      "number_observations": 6384,
      "number_observations_unique": 8300,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 88.90
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.96],
      "number_observations": 6333,
      "number_observations_unique": 8311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 7.4
        },
        {
          "type": "Completeness",
          "value": 92.30
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.08],
      "number_observations": 6734,
      "number_observations_unique": 8628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 10.4
        },
        {
          "type": "Completeness",
          "value": 93.80
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.24],
      "number_observations": 6546,
      "number_observations_unique": 8440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 14.4
        },
        {
          "type": "Completeness",
          "value": 94.00
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.46],
      "number_observations": 7024,
      "number_observations_unique": 8829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 19.7
        },
        {
          "type": "Completeness",
          "value": 94.20
        }
      ]
    },
    {
      "resolution_limits": [27.746,2.82],
      "number_observations": 7026,
      "number_observations_unique": 8652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 28.1
        },
        {
          "type": "Completeness",
          "value": 93.80
        }
      ]
    }
  ]

}
  

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


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