Data quality metrics extracted from 2ri1.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": "f8724418dfdc6d77f1a2cca5a5f3cef8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.92,
    "b": 82.48,
    "c": 135.28,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.84,2.030],
    "number_observations_unique": 35757,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 21.780
      },
      {
        "type": "Completeness",
        "value": 90.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.03],
      "number_observations": 38793,
      "number_observations_unique": 5275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.346
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 83.80
        }
      ]
    },
    {
      "resolution_limits": [2.30,2.16],
      "number_observations": 27051,
      "number_observations_unique": 3463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "I/SigI",
          "value": 7.8
        },
        {
          "type": "Completeness",
          "value": 59.30
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.30],
      "number_observations": 44966,
      "number_observations_unique": 5488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 12.7
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [2.72,2.48],
      "number_observations": 41631,
      "number_observations_unique": 5084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 17.4
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [3.03,2.72],
      "number_observations": 37807,
      "number_observations_unique": 4620,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 23.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [3.49,3.03],
      "number_observations": 33527,
      "number_observations_unique": 4113,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 31.9
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [4.24,3.49],
      "number_observations": 25204,
      "number_observations_unique": 3141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 37.3
        },
        {
          "type": "Completeness",
          "value": 89.10
        }
      ]
    },
    {
      "resolution_limits": [5.86,4.24],
      "number_observations": 22405,
      "number_observations_unique": 2820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 43.9
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [19.84,5.86],
      "number_observations": 13203,
      "number_observations_unique": 1753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 45.1
        },
        {
          "type": "Completeness",
          "value": 96.80
        }
      ]
    }
  ]

}
  

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


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