Data quality metrics extracted from 4mud.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": "227604f99d4d442ae318d33627a02521",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.73,
    "b": 64.25,
    "c": 77.01,
    "alpha": 80.29,
    "beta": 70.08,
    "gamma": 86.42
  },
  "wavelengths": [0.91837,0.97941,0.97855],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.229,2.43],
    "number_observations_unique": 31723,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 5.000
      },
      {
        "type": "Completeness",
        "value": 86.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.520,2.430],
      "number_observations": 7327,
      "number_observations_unique": 6445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 87.700
        }
      ]
    },
    {
      "resolution_limits": [2.620,2.520],
      "number_observations": 6881,
      "number_observations_unique": 6096,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 87.800
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.620],
      "number_observations": 6992,
      "number_observations_unique": 6192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 87.600
        }
      ]
    },
    {
      "resolution_limits": [2.880,2.740],
      "number_observations": 6703,
      "number_observations_unique": 5928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 86.200
        }
      ]
    },
    {
      "resolution_limits": [3.060,2.880],
      "number_observations": 6289,
      "number_observations_unique": 5589,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 78.300
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.060],
      "number_observations": 7236,
      "number_observations_unique": 6452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 90.700
        }
      ]
    },
    {
      "resolution_limits": [3.620,3.300],
      "number_observations": 6804,
      "number_observations_unique": 6128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 6.5
        },
        {
          "type": "Completeness",
          "value": 90.000
        }
      ]
    },
    {
      "resolution_limits": [4.150,3.620],
      "number_observations": 6938,
      "number_observations_unique": 6282,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 7.6
        },
        {
          "type": "Completeness",
          "value": 87.100
        }
      ]
    },
    {
      "resolution_limits": [5.210,4.150],
      "number_observations": 6502,
      "number_observations_unique": 5891,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 8.1
        },
        {
          "type": "Completeness",
          "value": 83.900
        }
      ]
    },
    {
      "resolution_limits": [29.229,5.210],
      "number_observations": 6965,
      "number_observations_unique": 6354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 8.3
        },
        {
          "type": "Completeness",
          "value": 88.200
        }
      ]
    }
  ]

}
  

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


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