Data quality metrics extracted from 3lgs.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": "679406735801466dd5f18276c1ff88ee",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.85,
    "b": 126.41,
    "c": 83.81,
    "alpha": 90.00,
    "beta": 101.73,
    "gamma": 90.00
  },
  "wavelengths": [1.54200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.120,2.200],
    "number_observations_unique": 46037,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 7.400
      },
      {
        "type": "Completeness",
        "value": 97.200
      },
      {
        "type": "Redundancy",
        "value": 3.780
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.20],
      "number_observations": 17495,
      "number_observations_unique": 4480,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.338
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 95.20
        },
        {
          "type": "Redundancy",
          "value": 3.66
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.28],
      "number_observations": 17950,
      "number_observations_unique": 4544,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 96.40
        },
        {
          "type": "Redundancy",
          "value": 3.73
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.37],
      "number_observations": 18032,
      "number_observations_unique": 4540,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.260
        },
        {
          "type": "I/SigI",
          "value": 3.8
        },
        {
          "type": "Completeness",
          "value": 96.00
        },
        {
          "type": "Redundancy",
          "value": 3.76
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.48],
      "number_observations": 18044,
      "number_observations_unique": 4530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.215
        },
        {
          "type": "I/SigI",
          "value": 4.5
        },
        {
          "type": "Completeness",
          "value": 96.50
        },
        {
          "type": "Redundancy",
          "value": 3.77
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.61],
      "number_observations": 18293,
      "number_observations_unique": 4583,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 5.4
        },
        {
          "type": "Completeness",
          "value": 96.90
        },
        {
          "type": "Redundancy",
          "value": 3.78
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.77],
      "number_observations": 18412,
      "number_observations_unique": 4599,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 6.5
        },
        {
          "type": "Completeness",
          "value": 97.40
        },
        {
          "type": "Redundancy",
          "value": 3.78
        }
      ]
    },
    {
      "resolution_limits": [3.28,2.98],
      "number_observations": 18592,
      "number_observations_unique": 4640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 8.1
        },
        {
          "type": "Completeness",
          "value": 97.40
        },
        {
          "type": "Redundancy",
          "value": 3.81
        }
      ]
    },
    {
      "resolution_limits": [3.76,3.28],
      "number_observations": 18691,
      "number_observations_unique": 4654,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 10.9
        },
        {
          "type": "Completeness",
          "value": 98.50
        },
        {
          "type": "Redundancy",
          "value": 3.83
        }
      ]
    },
    {
      "resolution_limits": [4.73,3.76],
      "number_observations": 18861,
      "number_observations_unique": 4698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 13.6
        },
        {
          "type": "Completeness",
          "value": 98.70
        },
        {
          "type": "Redundancy",
          "value": 3.85
        }
      ]
    },
    {
      "resolution_limits": [23.12,4.73],
      "number_observations": 18706,
      "number_observations_unique": 4769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 13.6
        },
        {
          "type": "Completeness",
          "value": 99.10
        },
        {
          "type": "Redundancy",
          "value": 3.79
        }
      ]
    }
  ]

}
  

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


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