Data quality metrics extracted from 7us3.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": "6a3f39bfc20bc24ce8ceee30c1a8e38a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 124.827,
    "b": 126.314,
    "c": 140.248,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [140.250,2.200],
    "number_observations": 902459,
    "number_observations_unique": 111523,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.249
      },
      {
        "type": "R(meas)",
        "value": 0.268
      },
      {
        "type": "R(pim)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 8.800
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 8.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.240,2.200],
      "number_observations": 32196,
      "number_observations_unique": 4908,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.383
        },
        {
          "type": "R(meas)",
          "value": 1.502
        },
        {
          "type": "R(pim)",
          "value": 0.570
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 89.000
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.466
        }
      ]
    },
    {
      "resolution_limits": [140.250,12.070],
      "number_observations": 5017,
      "number_observations_unique": 787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "R(pim)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 26.800
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    }
  ]

}
  

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


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