Data quality metrics extracted from 7m11.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": "b9684897208e7d02a4b7db169bf9aa3f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.838,
    "b": 126.545,
    "c": 68.903,
    "alpha": 90.00,
    "beta": 107.36,
    "gamma": 90.00
  },
  "wavelengths": [1.45870],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.180,1.830],
    "number_observations": 459284,
    "number_observations_unique": 148021,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "R(meas)",
        "value": 0.167
      },
      {
        "type": "I/SigI",
        "value": 5.830
      },
      {
        "type": "Completeness",
        "value": 88.500
      },
      {
        "type": "Redundancy",
        "value": 3.103
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.940,1.830],
      "number_observations_unique": 11489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.500
        },
        {
          "type": "R(meas)",
          "value": 0.652
        },
        {
          "type": "I/SigI",
          "value": 0.280
        },
        {
          "type": "Completeness",
          "value": 42.400
        },
        {
          "type": "Redundancy",
          "value": 1.879
        },
        {
          "type": "CC(1/2)",
          "value": 0.127
        }
      ]
    },
    {
      "resolution_limits": [2.080,1.940],
      "number_observations_unique": 22858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.872
        },
        {
          "type": "R(meas)",
          "value": 0.392
        },
        {
          "type": "I/SigI",
          "value": 0.570
        },
        {
          "type": "Completeness",
          "value": 90.300
        },
        {
          "type": "Redundancy",
          "value": 2.668
        },
        {
          "type": "CC(1/2)",
          "value": 0.246
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.080],
      "number_observations_unique": 23558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "R(meas)",
          "value": 0.213
        },
        {
          "type": "I/SigI",
          "value": 1.220
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.282
        },
        {
          "type": "CC(1/2)",
          "value": 0.513
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.240],
      "number_observations_unique": 21674,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.331
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 2.070
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.199
        },
        {
          "type": "CC(1/2)",
          "value": 0.708
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.460],
      "number_observations_unique": 19553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.180
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 3.560
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.449
        },
        {
          "type": "CC(1/2)",
          "value": 0.869
        }
      ]
    },
    {
      "resolution_limits": [3.170,2.740],
      "number_observations_unique": 17247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 6.700
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.441
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [3.870,3.170],
      "number_observations_unique": 14404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 13.420
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 3.208
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [5.460,3.870],
      "number_observations_unique": 11056,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 21.280
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 3.336
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [47.180,5.460],
      "number_observations_unique": 6182,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 25.860
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.261
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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