Data quality metrics extracted from 7s7a.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": "ccf901b4f37807463aa0912797cf0d5f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.92,
    "b": 72.17,
    "c": 72.53,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.77,1.7],
    "number_observations_unique": 31791,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 21.14
      },
      {
        "type": "Completeness",
        "value": 99.69
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [27.71,7.6],
      "number_observations_unique": 409,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.025
        }
      ]
    },
    {
      "resolution_limits": [7.6,5.38],
      "number_observations_unique": 698,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.026
        }
      ]
    },
    {
      "resolution_limits": [5.38,4.39],
      "number_observations_unique": 699,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.024
        }
      ]
    },
    {
      "resolution_limits": [4.39,3.80],
      "number_observations_unique": 1016,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.027
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.40],
      "number_observations_unique": 1159,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.029
        }
      ]
    },
    {
      "resolution_limits": [3.40,3.10],
      "number_observations_unique": 1263,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.033
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.87],
      "number_observations_unique": 1394,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.040
        }
      ]
    },
    {
      "resolution_limits": [2.87,2.69],
      "number_observations_unique": 1446,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.047
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.53],
      "number_observations_unique": 1574,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.054
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.40],
      "number_observations_unique": 1629,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.066
        }
      ]
    },
    {
      "resolution_limits": [2.4,2.29],
      "number_observations_unique": 1743,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.077
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.19],
      "number_observations_unique": 1783,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.1
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.11],
      "number_observations_unique": 1876,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.108
        }
      ]
    },
    {
      "resolution_limits": [2.11,2.03],
      "number_observations_unique": 1935,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.148
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.96],
      "number_observations_unique": 1999,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.178
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.90],
      "number_observations_unique": 2088,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.25
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.84],
      "number_observations_unique": 2142,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.369
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.79],
      "number_observations_unique": 2185,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.511
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.74],
      "number_observations_unique": 2264,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.619
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.70],
      "number_observations_unique": 2299,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.818
        }
      ]
    }
  ]

}
  

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


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