Data quality metrics extracted from 2pu9.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": "3f1b7eab025b7e7e9203ab2fc0a65d28",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 61.322,
    "b": 66.788,
    "c": 69.698,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.650],
    "number_observations_unique": 33522,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 15.600
      },
      {
        "type": "Completeness",
        "value": 95.700
      },
      {
        "type": "Redundancy",
        "value": 14.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.71,1.65],
      "number_observations_unique": 3205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.662
        },
        {
          "type": "Completeness",
          "value": 92.30
        },
        {
          "type": "Redundancy",
          "value": 7.70
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.71],
      "number_observations_unique": 3188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.493
        },
        {
          "type": "Completeness",
          "value": 93.10
        },
        {
          "type": "Redundancy",
          "value": 8.80
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.78],
      "number_observations_unique": 3240,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.363
        },
        {
          "type": "Completeness",
          "value": 93.50
        },
        {
          "type": "Redundancy",
          "value": 9.70
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.86],
      "number_observations_unique": 3269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "Completeness",
          "value": 94.60
        },
        {
          "type": "Redundancy",
          "value": 11.50
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.96],
      "number_observations_unique": 3293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.217
        },
        {
          "type": "Completeness",
          "value": 95.10
        },
        {
          "type": "Redundancy",
          "value": 14.20
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.08],
      "number_observations_unique": 3335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "Completeness",
          "value": 95.90
        },
        {
          "type": "Redundancy",
          "value": 17.80
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.24],
      "number_observations_unique": 3374,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "Completeness",
          "value": 96.70
        },
        {
          "type": "Redundancy",
          "value": 18.00
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.46],
      "number_observations_unique": 3428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "Completeness",
          "value": 97.50
        },
        {
          "type": "Redundancy",
          "value": 17.90
        }
      ]
    },
    {
      "resolution_limits": [3.55,2.82],
      "number_observations_unique": 3489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "Completeness",
          "value": 98.30
        },
        {
          "type": "Redundancy",
          "value": 17.80
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.55],
      "number_observations_unique": 3701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 99.20
        },
        {
          "type": "Redundancy",
          "value": 16.80
        }
      ]
    }
  ]

}
  

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


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