Data quality metrics extracted from 4mu9.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": "d1ac7865dbaa7443a54937ab9db65bc0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.23,
    "b": 61.22,
    "c": 63.75,
    "alpha": 91.43,
    "beta": 90.28,
    "gamma": 114.12
  },
  "wavelengths": [0.91837,0.97947,0.97876],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.033,1.89],
    "number_observations_unique": 42443,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 6.690
      },
      {
        "type": "Completeness",
        "value": 69.000
      },
      {
        "type": "Redundancy",
        "value": 1.94
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.960,1.890],
      "number_observations": 2905,
      "number_observations_unique": 2651,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.437
        },
        {
          "type": "I/SigI",
          "value": 1.75
        },
        {
          "type": "Completeness",
          "value": 23.100
        }
      ]
    },
    {
      "resolution_limits": [2.040,1.960],
      "number_observations": 5245,
      "number_observations_unique": 4763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 41.800
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.040],
      "number_observations": 6894,
      "number_observations_unique": 6309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 59.000
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.130],
      "number_observations": 9417,
      "number_observations_unique": 8627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 79.500
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.240],
      "number_observations": 9560,
      "number_observations_unique": 8777,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 79.000
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.380],
      "number_observations": 9209,
      "number_observations_unique": 8501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 77.900
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.560],
      "number_observations": 9915,
      "number_observations_unique": 9224,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 6.3
        },
        {
          "type": "Completeness",
          "value": 82.500
        }
      ]
    },
    {
      "resolution_limits": [3.230,2.820],
      "number_observations": 9601,
      "number_observations_unique": 8981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 8.3
        },
        {
          "type": "Completeness",
          "value": 80.100
        }
      ]
    },
    {
      "resolution_limits": [4.060,3.230],
      "number_observations": 9650,
      "number_observations_unique": 9141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 11.8
        },
        {
          "type": "Completeness",
          "value": 82.800
        }
      ]
    },
    {
      "resolution_limits": [28.030,4.060],
      "number_observations": 9978,
      "number_observations_unique": 9631,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 13.3
        },
        {
          "type": "Completeness",
          "value": 86.100
        }
      ]
    }
  ]

}
  

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


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