Data quality metrics extracted from 3f1l.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": "7eeb1b353d7b7a01d595cd647fe15ce3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.871,
    "b": 66.803,
    "c": 65.053,
    "alpha": 90.00,
    "beta": 109.03,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.240,0.950],
    "number_observations_unique": 236813,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 86.700
      },
      {
        "type": "Redundancy",
        "value": 4.440
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.98,0.95],
      "number_observations": 105870,
      "number_observations_unique": 22049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.385
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 80.90
        },
        {
          "type": "Redundancy",
          "value": 4.54
        }
      ]
    },
    {
      "resolution_limits": [1.02,0.98],
      "number_observations": 122626,
      "number_observations_unique": 24460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.353
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 89.90
        },
        {
          "type": "Redundancy",
          "value": 4.77
        }
      ]
    },
    {
      "resolution_limits": [1.07,1.02],
      "number_observations": 121014,
      "number_observations_unique": 24590,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.308
        },
        {
          "type": "I/SigI",
          "value": 3.7
        },
        {
          "type": "Completeness",
          "value": 90.20
        },
        {
          "type": "Redundancy",
          "value": 4.74
        }
      ]
    },
    {
      "resolution_limits": [1.13,1.07],
      "number_observations": 116610,
      "number_observations_unique": 24467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.244
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 89.80
        },
        {
          "type": "Redundancy",
          "value": 4.63
        }
      ]
    },
    {
      "resolution_limits": [1.20,1.13],
      "number_observations": 111973,
      "number_observations_unique": 24291,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.195
        },
        {
          "type": "I/SigI",
          "value": 5.5
        },
        {
          "type": "Completeness",
          "value": 89.10
        },
        {
          "type": "Redundancy",
          "value": 4.52
        }
      ]
    },
    {
      "resolution_limits": [1.29,1.20],
      "number_observations": 106549,
      "number_observations_unique": 23947,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 6.6
        },
        {
          "type": "Completeness",
          "value": 87.80
        },
        {
          "type": "Redundancy",
          "value": 4.37
        }
      ]
    },
    {
      "resolution_limits": [1.42,1.29],
      "number_observations": 101357,
      "number_observations_unique": 23593,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 86.30
        },
        {
          "type": "Redundancy",
          "value": 4.24
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.42],
      "number_observations": 96536,
      "number_observations_unique": 23075,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 10.4
        },
        {
          "type": "Completeness",
          "value": 84.50
        },
        {
          "type": "Redundancy",
          "value": 4.14
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.62],
      "number_observations": 93324,
      "number_observations_unique": 22734,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 16.3
        },
        {
          "type": "Completeness",
          "value": 83.00
        },
        {
          "type": "Redundancy",
          "value": 4.06
        }
      ]
    },
    {
      "resolution_limits": [45.24,2.05],
      "number_observations": 104905,
      "number_observations_unique": 23607,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 31.1
        },
        {
          "type": "Completeness",
          "value": 85.40
        },
        {
          "type": "Redundancy",
          "value": 4.33
        }
      ]
    }
  ]

}
  

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


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