Data quality metrics extracted from 7mss.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": "1e5f88d16ab1ba51e4b94f8cea577389",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.471,
    "b": 81.092,
    "c": 54.486,
    "alpha": 90.00,
    "beta": 103.37,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.320,1.750],
    "number_observations": 215571,
    "number_observations_unique": 66677,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 12.400
      },
      {
        "type": "Completeness",
        "value": 97.200
      },
      {
        "type": "Redundancy",
        "value": 3.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.780,1.750],
      "number_observations": 10838,
      "number_observations_unique": 3252,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.131
        },
        {
          "type": "R(pim)",
          "value": 1.157
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 3.300
        }
      ]
    },
    {
      "resolution_limits": [56.350,4.750],
      "number_observations": 11909,
      "number_observations_unique": 3503,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 63.600
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.400
        }
      ]
    }
  ]

}
  

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


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