Data quality metrics extracted from 7fsm.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": "585db0056cf03f32269bf8dabe2568cc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.311,
    "b": 49.606,
    "c": 115.628,
    "alpha": 90.00,
    "beta": 94.87,
    "gamma": 90.00
  },
  "wavelengths": [0.91790],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [115.150,1.950],
    "number_observations": 231773,
    "number_observations_unique": 66452,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.138
      },
      {
        "type": "R(meas)",
        "value": 0.163
      },
      {
        "type": "R(pim)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 9.000
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 3.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.945
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.000,1.950],
      "number_observations": 14945,
      "number_observations_unique": 4179,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.523
        },
        {
          "type": "R(meas)",
          "value": 1.793
        },
        {
          "type": "R(pim)",
          "value": 0.939
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 93.200
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.310
        }
      ]
    },
    {
      "resolution_limits": [115.150,9.140],
      "number_observations": 2194,
      "number_observations_unique": 718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(meas)",
          "value": 0.142
        },
        {
          "type": "R(pim)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 46.900
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.828
        }
      ]
    }
  ]

}
  

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


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