Data quality metrics extracted from 4mlr.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": "419e7f3aef1acc9fe5fec82705280a56",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 90.983,
    "b": 97.610,
    "c": 131.398,
    "alpha": 90.00,
    "beta": 92.06,
    "gamma": 90.00
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.450,2.200],
    "number_observations_unique": 116487,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.147
      },
      {
        "type": "I/SigI",
        "value": 4.500
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 4.170
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.280,2.200],
      "number_observations": 49430,
      "number_observations_unique": 11634,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.784
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.240
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.280],
      "number_observations": 49397,
      "number_observations_unique": 11594,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.732
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.250
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.370],
      "number_observations": 49394,
      "number_observations_unique": 11616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.699
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.250
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.480],
      "number_observations": 49257,
      "number_observations_unique": 11583,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.631
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.250
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.610],
      "number_observations": 49300,
      "number_observations_unique": 11628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.554
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.230
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.770],
      "number_observations": 49228,
      "number_observations_unique": 11652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.465
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.210
        }
      ]
    },
    {
      "resolution_limits": [3.290,2.990],
      "number_observations": 48396,
      "number_observations_unique": 11624,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.347
        },
        {
          "type": "I/SigI",
          "value": 3.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.140
        }
      ]
    },
    {
      "resolution_limits": [3.760,3.290],
      "number_observations": 47271,
      "number_observations_unique": 11653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "I/SigI",
          "value": 5.700
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.990
        }
      ]
    },
    {
      "resolution_limits": [4.740,3.760],
      "number_observations": 48529,
      "number_observations_unique": 11667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 11.500
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 4.080
        }
      ]
    },
    {
      "resolution_limits": [43.450,4.740],
      "number_observations": 49283,
      "number_observations_unique": 11836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 13.300
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 4.070
        }
      ]
    }
  ]

}
  

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


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