Data quality metrics extracted from 4lcl.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": "69ae0469d753907a80997be1453970a4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.80,
    "b": 76.39,
    "c": 113.76,
    "alpha": 90.00,
    "beta": 93.91,
    "gamma": 90.00
  },
  "wavelengths": [0.96410],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [18.1,1.8],
    "number_observations_unique": 69030,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 21.01
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.80],
      "number_observations_unique": 787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 51.5
        },
        {
          "type": "I/SigI",
          "value": 3.17
        },
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [3.60,3.29],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.1
        },
        {
          "type": "I/SigI",
          "value": 50.49
        },
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [4.65,3.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.0
        },
        {
          "type": "I/SigI",
          "value": 52.55
        },
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [5.69,4.65],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.7
        },
        {
          "type": "I/SigI",
          "value": 54.14
        },
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [8.05,5.69],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.8
        },
        {
          "type": "I/SigI",
          "value": 53.96
        },
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [18.1,8.05],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.6
        },
        {
          "type": "I/SigI",
          "value": 57.27
        },
        {
          "type": "Completeness",
          "value": 95.6
        }
      ]
    }
  ]

}
  

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


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