Data quality metrics extracted from 2pke.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": "0f476ab70dbbc122898ac7c8f7544dcf",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 34.16,
    "b": 107.10,
    "c": 62.56,
    "alpha": 90.00,
    "beta": 102.29,
    "gamma": 90.00
  },
  "wavelengths": [0.91162,0.97936],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.386,1.81],
    "number_observations_unique": 37341,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 7.740
      },
      {
        "type": "Completeness",
        "value": 82.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.81],
      "number_observations": 1072,
      "number_observations_unique": 3378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.350
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 45.90
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.87],
      "number_observations": 2132,
      "number_observations_unique": 4788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 56.60
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.95],
      "number_observations": 3968,
      "number_observations_unique": 6373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 79.70
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.04],
      "number_observations": 4646,
      "number_observations_unique": 6997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 86.30
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.15],
      "number_observations": 4457,
      "number_observations_unique": 6731,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "I/SigI",
          "value": 4.0
        },
        {
          "type": "Completeness",
          "value": 88.30
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.28],
      "number_observations": 4877,
      "number_observations_unique": 7318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 91.30
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.46],
      "number_observations": 4682,
      "number_observations_unique": 7079,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 6.2
        },
        {
          "type": "Completeness",
          "value": 92.20
        }
      ]
    },
    {
      "resolution_limits": [3.09,2.70],
      "number_observations": 4929,
      "number_observations_unique": 7432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 9.3
        },
        {
          "type": "Completeness",
          "value": 93.50
        }
      ]
    },
    {
      "resolution_limits": [29.386,3.09],
      "number_observations": 4910,
      "number_observations_unique": 7465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 15.4
        },
        {
          "type": "Completeness",
          "value": 94.30
        }
      ]
    }
  ]

}
  

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


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