Data quality metrics extracted from 2pwj.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": "e0cfee4ae620e2015113387b0762bfc5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.88,
    "b": 66.40,
    "c": 77.23,
    "alpha": 102.94,
    "beta": 104.44,
    "gamma": 99.07
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.90,2.39],
    "number_observations_unique": 30073,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 15.416
      },
      {
        "type": "Completeness",
        "value": 65.790
      },
      {
        "type": "Redundancy",
        "value": 3.080
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.48,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.48],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.58],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.84],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.02],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        }
      ]
    },
    {
      "resolution_limits": [3.58,3.26],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        }
      ]
    },
    {
      "resolution_limits": [4.10,3.58],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        }
      ]
    },
    {
      "resolution_limits": [5.17,4.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        }
      ]
    },
    {
      "resolution_limits": [71.90,5.17],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        }
      ]
    }
  ]

}
  

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


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