Data quality metrics extracted from 2r0x.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": "ab1d51cdb0316a1025d2aee2fe6c5f23",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.02,
    "b": 38.85,
    "c": 48.44,
    "alpha": 90.00,
    "beta": 115.63,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97925,0.97898],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.402,1.06],
    "number_observations_unique": 54635,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 6.340
      },
      {
        "type": "Completeness",
        "value": 98.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.10,1.06],
      "number_observations": 13485,
      "number_observations_unique": 9171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 1.34
        },
        {
          "type": "Completeness",
          "value": 97.80
        }
      ]
    },
    {
      "resolution_limits": [1.14,1.10],
      "number_observations": 12285,
      "number_observations_unique": 8327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.450
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 84.50
        }
      ]
    },
    {
      "resolution_limits": [1.19,1.14],
      "number_observations": 13474,
      "number_observations_unique": 8999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.378
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 86.90
        }
      ]
    },
    {
      "resolution_limits": [1.26,1.19],
      "number_observations": 16108,
      "number_observations_unique": 10603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 88.30
        }
      ]
    },
    {
      "resolution_limits": [1.34,1.26],
      "number_observations": 15131,
      "number_observations_unique": 9856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 90.80
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.34],
      "number_observations": 14853,
      "number_observations_unique": 9570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 93.00
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.44],
      "number_observations": 15647,
      "number_observations_unique": 9919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 5.9
        },
        {
          "type": "Completeness",
          "value": 95.00
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.58],
      "number_observations": 17179,
      "number_observations_unique": 10556,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 8.8
        },
        {
          "type": "Completeness",
          "value": 97.10
        }
      ]
    },
    {
      "resolution_limits": [23.402,1.81],
      "number_observations": 17564,
      "number_observations_unique": 10679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 14.3
        },
        {
          "type": "Completeness",
          "value": 98.30
        }
      ]
    }
  ]

}
  

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


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