Data quality metrics extracted from 4mru.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": "6e81710957378c3a0be6b128456c0a3e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.146,
    "b": 74.673,
    "c": 78.057,
    "alpha": 78.73,
    "beta": 73.51,
    "gamma": 78.62
  },
  "wavelengths": [0.97940,0.91840,0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.387,1.90],
    "number_observations_unique": 74269,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 5.070
      },
      {
        "type": "Completeness",
        "value": 84.900
      },
      {
        "type": "Redundancy",
        "value": 2.40
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.970,1.900],
      "number_observations": 16192,
      "number_observations_unique": 13143,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 74.600
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.970],
      "number_observations": 18248,
      "number_observations_unique": 14762,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.194
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 85.600
        }
      ]
    },
    {
      "resolution_limits": [2.140,2.050],
      "number_observations": 16965,
      "number_observations_unique": 13778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 83.500
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.140],
      "number_observations": 16745,
      "number_observations_unique": 13608,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 81.700
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.250],
      "number_observations": 18621,
      "number_observations_unique": 15134,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 88.800
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.390],
      "number_observations": 19181,
      "number_observations_unique": 15613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 88.200
        }
      ]
    },
    {
      "resolution_limits": [2.840,2.580],
      "number_observations": 17164,
      "number_observations_unique": 14029,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "I/SigI",
          "value": 5.5
        },
        {
          "type": "Completeness",
          "value": 82.100
        }
      ]
    },
    {
      "resolution_limits": [3.250,2.840],
      "number_observations": 18846,
      "number_observations_unique": 15431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 90.400
        }
      ]
    },
    {
      "resolution_limits": [4.080,3.250],
      "number_observations": 17532,
      "number_observations_unique": 14461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 9.2
        },
        {
          "type": "Completeness",
          "value": 85.400
        }
      ]
    },
    {
      "resolution_limits": [28.390,4.080],
      "number_observations": 18440,
      "number_observations_unique": 15253,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 10.2
        },
        {
          "type": "Completeness",
          "value": 88.300
        }
      ]
    }
  ]

}
  

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


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