Data quality metrics extracted from 9s1b.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "4158c3dabdacf77b295dc4111b9cb558",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 68.850,
    "b": 71.938,
    "c": 121.555,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96550],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.91,2.218],
    "number_observations_unique": 16012,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1893
      },
      {
        "type": "R(meas)",
        "value": 0.1984
      },
      {
        "type": "R(pim)",
        "value": 0.0580
      },
      {
        "type": "I/SigI",
        "value": 11.28
      },
      {
        "type": "Completeness",
        "value": 82.7
      },
      {
        "type": "Redundancy",
        "value": 11.46
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.820,2.745],
      "number_observations_unique": 800,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7943
        },
        {
          "type": "R(meas)",
          "value": 0.8542
        },
        {
          "type": "R(pim)",
          "value": 0.3062
        },
        {
          "type": "I/SigI",
          "value": 1.16
        },
        {
          "type": "Completeness",
          "value": 64.7
        },
        {
          "type": "Redundancy",
          "value": 7.39
        },
        {
          "type": "CC(1/2)",
          "value": 0.480
        }
      ]
    },
    {
      "resolution_limits": [2.745,2.218],
      "number_observations_unique": 801,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6931
        },
        {
          "type": "R(meas)",
          "value": 0.7684
        },
        {
          "type": "R(pim)",
          "value": 0.3166
        },
        {
          "type": "I/SigI",
          "value": 1.30
        },
        {
          "type": "Completeness",
          "value": 17.2
        },
        {
          "type": "Redundancy",
          "value": 5.53
        },
        {
          "type": "CC(1/2)",
          "value": 0.427
        }
      ]
    }
  ]

}
  

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


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