Data quality metrics extracted from 3lmz.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": "4234f6f4a78b1291a9bc97ad38c58212",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 78.594,
    "b": 81.906,
    "c": 95.485,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91162,0.97944,0.97932],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.355,1.44],
    "number_observations_unique": 47272,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 10.020
      },
      {
        "type": "Completeness",
        "value": 76.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.49,1.44],
      "number_observations": 18658,
      "number_observations_unique": 8307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.490
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 79.00
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.49],
      "number_observations": 20090,
      "number_observations_unique": 8773,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.374
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 81.20
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.55],
      "number_observations": 20179,
      "number_observations_unique": 8668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.292
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 80.40
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.62],
      "number_observations": 21311,
      "number_observations_unique": 9049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.205
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 79.60
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.71],
      "number_observations": 18895,
      "number_observations_unique": 7890,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 5.7
        },
        {
          "type": "Completeness",
          "value": 78.70
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.81],
      "number_observations": 20599,
      "number_observations_unique": 8458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 8.5
        },
        {
          "type": "Completeness",
          "value": 77.40
        }
      ]
    },
    {
      "resolution_limits": [2.15,1.95],
      "number_observations": 20734,
      "number_observations_unique": 8316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Completeness",
          "value": 75.80
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.15],
      "number_observations": 20319,
      "number_observations_unique": 7984,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 16.6
        },
        {
          "type": "Completeness",
          "value": 73.90
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.46],
      "number_observations": 20371,
      "number_observations_unique": 7744,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 21.2
        },
        {
          "type": "Completeness",
          "value": 71.70
        }
      ]
    },
    {
      "resolution_limits": [28.355,3.10],
      "number_observations": 20470,
      "number_observations_unique": 7549,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 28.2
        },
        {
          "type": "Completeness",
          "value": 69.70
        }
      ]
    }
  ]

}
  

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


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