Data quality metrics extracted from 7lpp.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": "72e61c57fc152295106e55b65e69b1e0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 98.100,
    "b": 133.161,
    "c": 129.586,
    "alpha": 90.00,
    "beta": 94.46,
    "gamma": 90.00
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.490,2.850],
    "number_observations_unique": 77245,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.334
      },
      {
        "type": "R(meas)",
        "value": 0.361
      },
      {
        "type": "R(pim)",
        "value": 0.135
      },
      {
        "type": "I/SigI",
        "value": 5.10
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 7.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.910,2.850],
      "number_observations_unique": 4537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.752
        },
        {
          "type": "R(meas)",
          "value": 1.887
        },
        {
          "type": "R(pim)",
          "value": 0.697
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 7.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.625
        }
      ]
    },
    {
      "resolution_limits": [65.490,14.250],
      "number_observations_unique": 642,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "R(pim)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 9.3
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    }
  ]

}
  

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


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