Data quality metrics extracted from 3r2m.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": "30560881ed186e0aa20de5f7dc5eedfb",
  "space_group_name": "F 4 3 2",
  "unit_cell": {
    "a": 173.267,
    "b": 173.267,
    "c": 173.267,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.74010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.04,1.80],
    "number_observations_unique": 21231,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 23.3291
      },
      {
        "type": "Completeness",
        "value": 100.00
      },
      {
        "type": "Redundancy",
        "value": 32.39
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.80],
      "number_observations": 48781,
      "number_observations_unique": 3002,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.88
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 16.25
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.90],
      "number_observations": 93946,
      "number_observations_unique": 2872,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.58
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 32.71
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.01],
      "number_observations": 96070,
      "number_observations_unique": 2708,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.36
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 35.48
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.15],
      "number_observations": 93374,
      "number_observations_unique": 2524,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 36.99
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.32],
      "number_observations": 84497,
      "number_observations_unique": 2342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 36.08
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.55],
      "number_observations": 78328,
      "number_observations_unique": 2137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 36.65
        }
      ]
    },
    {
      "resolution_limits": [3.29,2.85],
      "number_observations": 66761,
      "number_observations_unique": 1894,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 35.25
        }
      ]
    },
    {
      "resolution_limits": [4.02,3.29],
      "number_observations": 55646,
      "number_observations_unique": 1641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 33.91
        }
      ]
    },
    {
      "resolution_limits": [5.69,4.02],
      "number_observations": 44749,
      "number_observations_unique": 1308,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 34.21
        }
      ]
    },
    {
      "resolution_limits": [100.04,5.69],
      "number_observations": 25466,
      "number_observations_unique": 803,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 31.71
        }
      ]
    }
  ]

}
  

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


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