Data quality metrics extracted from 2pfw.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": "7db75493b8ea818d741dc92111d4329f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 58.50,
    "b": 73.14,
    "c": 73.13,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91162,0.97895,0.97871],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.248,1.900],
    "number_observations_unique": 42979,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 12.260
      },
      {
        "type": "Completeness",
        "value": 89.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations": 5859,
      "number_observations_unique": 4161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.331
        },
        {
          "type": "I/SigI",
          "value": 2.64
        },
        {
          "type": "Completeness",
          "value": 83.8
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.97],
      "number_observations": 8183,
      "number_observations_unique": 4386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        },
        {
          "type": "I/SigI",
          "value": 3.56
        },
        {
          "type": "Completeness",
          "value": 91.2
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.05],
      "number_observations": 7889,
      "number_observations_unique": 4198,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        },
        {
          "type": "I/SigI",
          "value": 4.57
        },
        {
          "type": "Completeness",
          "value": 91.2
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.14],
      "number_observations": 8019,
      "number_observations_unique": 4261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "I/SigI",
          "value": 5.32
        },
        {
          "type": "Completeness",
          "value": 91.2
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.25],
      "number_observations": 8208,
      "number_observations_unique": 4342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 6.75
        },
        {
          "type": "Completeness",
          "value": 91.3
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations": 8573,
      "number_observations_unique": 4474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 7.95
        },
        {
          "type": "Completeness",
          "value": 91.0
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.58],
      "number_observations": 8416,
      "number_observations_unique": 4378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 11.16
        },
        {
          "type": "Completeness",
          "value": 91.1
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.84],
      "number_observations": 8371,
      "number_observations_unique": 4268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 17.47
        },
        {
          "type": "Completeness",
          "value": 90.30
        }
      ]
    },
    {
      "resolution_limits": [4.08,3.25],
      "number_observations": 8501,
      "number_observations_unique": 4270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 28.2
        },
        {
          "type": "Completeness",
          "value": 90.00
        }
      ]
    },
    {
      "resolution_limits": [29.25,4.08],
      "number_observations": 8784,
      "number_observations_unique": 4241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2
        },
        {
          "type": "I/SigI",
          "value": 35.3
        },
        {
          "type": "Completeness",
          "value": 87.4
        }
      ]
    }
  ]

}
  

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


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