Data quality metrics extracted from 2isz.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": "64f65cf71a5bacc2bac0b09da1946fb0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.832,
    "b": 69.739,
    "c": 76.461,
    "alpha": 106.57,
    "beta": 104.85,
    "gamma": 99.66
  },
  "wavelengths": [1.07810],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.400],
    "number_observations_unique": 34892,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 8.900
      },
      {
        "type": "Completeness",
        "value": 90.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.40],
      "number_observations_unique": 2361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.296
        },
        {
          "type": "Completeness",
          "value": 60.70
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.49],
      "number_observations_unique": 2852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.286
        },
        {
          "type": "Completeness",
          "value": 74.70
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.59],
      "number_observations_unique": 3365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.254
        },
        {
          "type": "Completeness",
          "value": 86.80
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.70],
      "number_observations_unique": 3670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        },
        {
          "type": "Completeness",
          "value": 95.40
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.85],
      "number_observations_unique": 3809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "Completeness",
          "value": 97.80
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.02],
      "number_observations_unique": 3745,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "Completeness",
          "value": 97.50
        }
      ]
    },
    {
      "resolution_limits": [3.58,3.26],
      "number_observations_unique": 3757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "Completeness",
          "value": 97.40
        }
      ]
    },
    {
      "resolution_limits": [4.10,3.58],
      "number_observations_unique": 3767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "Completeness",
          "value": 97.50
        }
      ]
    },
    {
      "resolution_limits": [5.17,4.10],
      "number_observations_unique": 3749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 97.70
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.17],
      "number_observations_unique": 3817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "Completeness",
          "value": 98.50
        }
      ]
    }
  ]

}
  

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


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