Data quality metrics extracted from 3cda.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": "05218864074454f6db2be91001b36d6d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.611,
    "b": 172.249,
    "c": 75.620,
    "alpha": 90.00,
    "beta": 118.04,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.070],
    "number_observations_unique": 90237,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 13.000
      },
      {
        "type": "Completeness",
        "value": 90.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.08],
      "number_observations_unique": 7736,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "Completeness",
          "value": 78.20
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.15],
      "number_observations_unique": 8317,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.175
        },
        {
          "type": "Completeness",
          "value": 83.80
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.24],
      "number_observations_unique": 8608,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        },
        {
          "type": "Completeness",
          "value": 86.90
        }
      ]
    },
    {
      "resolution_limits": [2.47,2.34],
      "number_observations_unique": 9112,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "Completeness",
          "value": 91.80
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.47],
      "number_observations_unique": 9491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "Completeness",
          "value": 95.40
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.62],
      "number_observations_unique": 9517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "Completeness",
          "value": 95.80
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.82],
      "number_observations_unique": 9396,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 94.90
        }
      ]
    },
    {
      "resolution_limits": [3.56,3.11],
      "number_observations_unique": 9303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "Completeness",
          "value": 93.50
        }
      ]
    },
    {
      "resolution_limits": [4.48,3.56],
      "number_observations_unique": 9224,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "Completeness",
          "value": 92.20
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.48],
      "number_observations_unique": 9533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "Completeness",
          "value": 95.00
        }
      ]
    }
  ]

}
  

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


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