Data quality metrics extracted from 7ldt.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": "096fc44de916ff302260ffa7e13cc535",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 84.244,
    "b": 79.758,
    "c": 150.583,
    "alpha": 90.00,
    "beta": 93.71,
    "gamma": 90.00
  },
  "wavelengths": [0.95374],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.820,2.600],
    "number_observations": 223484,
    "number_observations_unique": 61337,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.291
      },
      {
        "type": "R(meas)",
        "value": 0.340
      },
      {
        "type": "R(pim)",
        "value": 0.175
      },
      {
        "type": "I/SigI",
        "value": 4.900
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 3.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.955
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.670,2.600],
      "number_observations": 15856,
      "number_observations_unique": 4550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.337
        },
        {
          "type": "R(meas)",
          "value": 1.578
        },
        {
          "type": "R(pim)",
          "value": 0.829
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.433
        }
      ]
    },
    {
      "resolution_limits": [34.820,11.630],
      "number_observations": 2402,
      "number_observations_unique": 692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "R(pim)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 11.200
        },
        {
          "type": "Completeness",
          "value": 94.500
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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