Data quality metrics extracted from 3r2b.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": "d86674fb87febf805b2a8ac921884900",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 139.803,
    "b": 180.249,
    "c": 217.109,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.970,2.900],
    "number_observations_unique": 74678,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.156
      },
      {
        "type": "I/SigI",
        "value": 5.000
      },
      {
        "type": "Completeness",
        "value": 61.300
      },
      {
        "type": "Redundancy",
        "value": 3.220
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.000,2.900],
      "number_observations": 24522,
      "number_observations_unique": 7798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.541
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 64.600
        },
        {
          "type": "Redundancy",
          "value": 3.140
        }
      ]
    },
    {
      "resolution_limits": [3.120,3.000],
      "number_observations": 24565,
      "number_observations_unique": 7762,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.493
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 64.400
        },
        {
          "type": "Redundancy",
          "value": 3.160
        }
      ]
    },
    {
      "resolution_limits": [3.270,3.120],
      "number_observations": 24497,
      "number_observations_unique": 7695,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.445
        },
        {
          "type": "I/SigI",
          "value": 2.400
        },
        {
          "type": "Completeness",
          "value": 63.900
        },
        {
          "type": "Redundancy",
          "value": 3.180
        }
      ]
    },
    {
      "resolution_limits": [3.440,3.270],
      "number_observations": 24431,
      "number_observations_unique": 7670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.394
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 63.500
        },
        {
          "type": "Redundancy",
          "value": 3.180
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.440],
      "number_observations": 24281,
      "number_observations_unique": 7610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.367
        },
        {
          "type": "I/SigI",
          "value": 2.900
        },
        {
          "type": "Completeness",
          "value": 62.900
        },
        {
          "type": "Redundancy",
          "value": 3.160
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.650],
      "number_observations": 23799,
      "number_observations_unique": 7532,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.281
        },
        {
          "type": "I/SigI",
          "value": 4.000
        },
        {
          "type": "Completeness",
          "value": 61.900
        },
        {
          "type": "Redundancy",
          "value": 3.110
        }
      ]
    },
    {
      "resolution_limits": [4.330,3.940],
      "number_observations": 23995,
      "number_observations_unique": 7394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "I/SigI",
          "value": 5.300
        },
        {
          "type": "Completeness",
          "value": 61.000
        },
        {
          "type": "Redundancy",
          "value": 3.230
        }
      ]
    },
    {
      "resolution_limits": [4.960,4.330],
      "number_observations": 24168,
      "number_observations_unique": 7344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.154
        },
        {
          "type": "I/SigI",
          "value": 7.000
        },
        {
          "type": "Completeness",
          "value": 59.900
        },
        {
          "type": "Redundancy",
          "value": 3.270
        }
      ]
    },
    {
      "resolution_limits": [6.240,4.960],
      "number_observations": 24025,
      "number_observations_unique": 7089,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "I/SigI",
          "value": 8.000
        },
        {
          "type": "Completeness",
          "value": 57.800
        },
        {
          "type": "Redundancy",
          "value": 3.370
        }
      ]
    },
    {
      "resolution_limits": [51.970,6.240],
      "number_observations": 23954,
      "number_observations_unique": 6784,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 14.100
        },
        {
          "type": "Completeness",
          "value": 53.400
        },
        {
          "type": "Redundancy",
          "value": 3.440
        }
      ]
    }
  ]

}
  

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


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