Data quality metrics extracted from 3b3i.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": "ff39f458118ed04984c519f4e2a8ef1b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 51.343,
    "b": 82.303,
    "c": 109.279,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.850],
    "number_observations_unique": 37217,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 15.200
      },
      {
        "type": "Completeness",
        "value": 93.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.85],
      "number_observations_unique": 2399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.303
        },
        {
          "type": "Completeness",
          "value": 91.00
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.89],
      "number_observations_unique": 2365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "Completeness",
          "value": 91.20
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.94],
      "number_observations_unique": 2413,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "Completeness",
          "value": 92.00
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.99],
      "number_observations_unique": 2432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.170
        },
        {
          "type": "Completeness",
          "value": 91.50
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.05],
      "number_observations_unique": 2378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "Completeness",
          "value": 91.60
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.12],
      "number_observations_unique": 2376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "Completeness",
          "value": 91.00
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.19],
      "number_observations_unique": 2426,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "Completeness",
          "value": 91.70
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.28],
      "number_observations_unique": 2454,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "Completeness",
          "value": 92.80
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.39],
      "number_observations_unique": 2471,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "Completeness",
          "value": 93.40
        }
      ]
    },
    {
      "resolution_limits": [2.67,2.51],
      "number_observations_unique": 2533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "Completeness",
          "value": 95.00
        }
      ]
    },
    {
      "resolution_limits": [2.87,2.67],
      "number_observations_unique": 2534,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "Completeness",
          "value": 95.60
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.87],
      "number_observations_unique": 2576,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "Completeness",
          "value": 95.80
        }
      ]
    },
    {
      "resolution_limits": [3.62,3.16],
      "number_observations_unique": 2565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "Completeness",
          "value": 95.50
        }
      ]
    },
    {
      "resolution_limits": [4.56,3.62],
      "number_observations_unique": 2591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "Completeness",
          "value": 94.70
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.56],
      "number_observations_unique": 2704,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "Completeness",
          "value": 94.00
        }
      ]
    }
  ]

}
  

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


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