Data quality metrics extracted from 7ms2.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": "43fe5f916a220d3ca49a5a46546ff99b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 63.84,
    "b": 148.06,
    "c": 198.64,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96863],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.370,2.040],
    "number_observations": 3197927,
    "number_observations_unique": 120455,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.321
      },
      {
        "type": "R(meas)",
        "value": 0.327
      },
      {
        "type": "R(pim)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 7.800
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 26.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.150,2.040],
      "number_observations_unique": 17359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 9.99
        },
        {
          "type": "R(meas)",
          "value": 15.003
        },
        {
          "type": "R(pim)",
          "value": 2.873
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 26.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.596
        }
      ]
    },
    {
      "resolution_limits": [69.370,6.450],
      "number_observations_unique": 4153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "R(pim)",
          "value": 0.012
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 23.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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