Data quality metrics extracted from 3lme.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": "8e12b9c068db1edc900c3ede10d32890",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 112.185,
    "b": 142.239,
    "c": 147.365,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.750],
    "number_observations_unique": 62233,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "I/SigI",
        "value": 8.900
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 12.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.75],
      "number_observations_unique": 3061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.905
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 11.80
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.80],
      "number_observations_unique": 3057,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.762
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 11.80
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.85],
      "number_observations_unique": 3078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.658
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 11.80
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.90],
      "number_observations_unique": 3088,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.554
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 11.90
        }
      ]
    },
    {
      "resolution_limits": [3.03,2.96],
      "number_observations_unique": 3059,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.489
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.00
        }
      ]
    },
    {
      "resolution_limits": [3.10,3.03],
      "number_observations_unique": 3053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.380
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 12.00
        }
      ]
    },
    {
      "resolution_limits": [3.17,3.10],
      "number_observations_unique": 3088,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.296
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.10
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.17],
      "number_observations_unique": 3078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.260
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.10
        }
      ]
    },
    {
      "resolution_limits": [3.36,3.26],
      "number_observations_unique": 3082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.20
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.36],
      "number_observations_unique": 3089,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.175
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [3.59,3.46],
      "number_observations_unique": 3105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [3.73,3.59],
      "number_observations_unique": 3093,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [3.90,3.73],
      "number_observations_unique": 3108,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.90],
      "number_observations_unique": 3106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [4.36,4.11],
      "number_observations_unique": 3119,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.20
        }
      ]
    },
    {
      "resolution_limits": [4.70,4.36],
      "number_observations_unique": 3125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 12.10
        }
      ]
    },
    {
      "resolution_limits": [5.17,4.70],
      "number_observations_unique": 3150,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.00
        }
      ]
    },
    {
      "resolution_limits": [5.92,5.17],
      "number_observations_unique": 3148,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 11.80
        }
      ]
    },
    {
      "resolution_limits": [7.46,5.92],
      "number_observations_unique": 3199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 11.50
        }
      ]
    },
    {
      "resolution_limits": [50.00,7.46],
      "number_observations_unique": 3347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 11.40
        }
      ]
    }
  ]

}
  

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


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