Data quality metrics extracted from 4esp.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": "7dad5672169121bf63272d184896b3ea",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 58.574,
    "b": 58.574,
    "c": 101.717,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.76,1.100],
    "number_observations_unique": 71959,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.172
      },
      {
        "type": "I/SigI",
        "value": 13.600
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 26.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.120,1.100],
      "number_observations_unique": 3510,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.471
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 15.800
        }
      ]
    },
    {
      "resolution_limits": [1.140,1.120],
      "number_observations_unique": 3538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.396
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 20.600
        }
      ]
    },
    {
      "resolution_limits": [1.160,1.140],
      "number_observations_unique": 3539,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.362
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 26.800
        }
      ]
    },
    {
      "resolution_limits": [1.180,1.160],
      "number_observations_unique": 3572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 27.700
        }
      ]
    },
    {
      "resolution_limits": [1.210,1.180],
      "number_observations_unique": 3555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.308
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 27.800
        }
      ]
    },
    {
      "resolution_limits": [1.240,1.210],
      "number_observations_unique": 3562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.318
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 27.900
        }
      ]
    },
    {
      "resolution_limits": [1.270,1.240],
      "number_observations_unique": 3575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.269
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.000
        }
      ]
    },
    {
      "resolution_limits": [1.300,1.270],
      "number_observations_unique": 3569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.278
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.100
        }
      ]
    },
    {
      "resolution_limits": [1.340,1.300],
      "number_observations_unique": 3561,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.232
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.300
        }
      ]
    },
    {
      "resolution_limits": [1.390,1.340],
      "number_observations_unique": 3569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.300
        }
      ]
    },
    {
      "resolution_limits": [1.440,1.390],
      "number_observations_unique": 3606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.400
        }
      ]
    },
    {
      "resolution_limits": [1.490,1.440],
      "number_observations_unique": 3596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.600
        }
      ]
    },
    {
      "resolution_limits": [1.560,1.490],
      "number_observations_unique": 3605,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.700
        }
      ]
    },
    {
      "resolution_limits": [1.640,1.560],
      "number_observations_unique": 3581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.700
        }
      ]
    },
    {
      "resolution_limits": [1.750,1.640],
      "number_observations_unique": 3641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.800
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.750],
      "number_observations_unique": 3627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.700
        }
      ]
    },
    {
      "resolution_limits": [2.070,1.880],
      "number_observations_unique": 3642,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 24.200
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.070],
      "number_observations_unique": 3674,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 25.000
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.370],
      "number_observations_unique": 3728,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 28.200
        }
      ]
    },
    {
      "resolution_limits": [38.36,2.990],
      "number_observations_unique": 3709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "Completeness",
          "value": 93.800
        },
        {
          "type": "Redundancy",
          "value": 18.200
        }
      ]
    }
  ]

}
  

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


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