Data quality metrics extracted from 3db7.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": "a4c8763478efa70d4eeaa05b5593f364",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 66.17,
    "b": 48.42,
    "c": 44.61,
    "alpha": 90.00,
    "beta": 113.27,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97947,0.97891],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.922,1.40],
    "number_observations_unique": 23150,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 10.440
      },
      {
        "type": "Completeness",
        "value": 90.5
      },
      {
        "type": "Redundancy",
        "value": 2.149
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.536
        },
        {
          "type": "I/SigI",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.45],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.369
        },
        {
          "type": "I/SigI",
          "value": 2.0
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.51],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.281
        },
        {
          "type": "I/SigI",
          "value": 2.7
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.58],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        },
        {
          "type": "I/SigI",
          "value": 3.6
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.66],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 4.8
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.76],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 7.4
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 12.4
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.09],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 16.0
        }
      ]
    },
    {
      "resolution_limits": [3.01,2.39],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 20.8
        }
      ]
    },
    {
      "resolution_limits": [24.92,3.01],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 32.1
        }
      ]
    }
  ]

}
  

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


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