Data quality metrics extracted from 3lur.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": "9d0fe0a2abb66b3e4f10f9b8f1d8cc87",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 34.179,
    "b": 62.482,
    "c": 105.075,
    "alpha": 90.00,
    "beta": 93.33,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97932,0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.192,1.81],
    "number_observations_unique": 39778,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 9.130
      },
      {
        "type": "Completeness",
        "value": 94.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.81],
      "number_observations": 9175,
      "number_observations_unique": 6412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 87.30
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.87],
      "number_observations": 11324,
      "number_observations_unique": 7930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.305
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 94.00
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.95],
      "number_observations": 10990,
      "number_observations_unique": 7638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.221
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 94.80
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.04],
      "number_observations": 11339,
      "number_observations_unique": 7827,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 96.00
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.15],
      "number_observations": 10652,
      "number_observations_unique": 7291,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 5.8
        },
        {
          "type": "Completeness",
          "value": 96.50
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.28],
      "number_observations": 11542,
      "number_observations_unique": 7837,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 96.70
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.46],
      "number_observations": 10875,
      "number_observations_unique": 7337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 8.7
        },
        {
          "type": "Completeness",
          "value": 96.60
        }
      ]
    },
    {
      "resolution_limits": [3.09,2.70],
      "number_observations": 11404,
      "number_observations_unique": 7687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Completeness",
          "value": 96.00
        }
      ]
    },
    {
      "resolution_limits": [3.89,3.09],
      "number_observations": 11076,
      "number_observations_unique": 7454,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 19.7
        },
        {
          "type": "Completeness",
          "value": 94.20
        }
      ]
    },
    {
      "resolution_limits": [29.192,3.89],
      "number_observations": 11201,
      "number_observations_unique": 7438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 25.0
        },
        {
          "type": "Completeness",
          "value": 93.20
        }
      ]
    }
  ]

}
  

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


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