Data quality metrics extracted from 7lfe.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": "e3f293745fd839339fd9fdfd6229ca85",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.783,
    "b": 102.069,
    "c": 102.694,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.35502],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.570,2.790],
    "number_observations": 108405,
    "number_observations_unique": 16983,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.198
      },
      {
        "type": "R(meas)",
        "value": 0.216
      },
      {
        "type": "R(pim)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 9.100
      },
      {
        "type": "Completeness",
        "value": 92.100
      },
      {
        "type": "Redundancy",
        "value": 6.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.940,2.790],
      "number_observations": 17723,
      "number_observations_unique": 2621,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.971
        },
        {
          "type": "R(meas)",
          "value": 1.051
        },
        {
          "type": "R(pim)",
          "value": 0.399
        },
        {
          "type": "I/SigI",
          "value": 2.400
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.753
        }
      ]
    },
    {
      "resolution_limits": [56.570,8.810],
      "number_observations": 3923,
      "number_observations_unique": 668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 24.800
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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