Data quality metrics extracted from 3mmh.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": "64dd9c8d473573027078e33386c9d3a6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.32,
    "b": 39.48,
    "c": 52.25,
    "alpha": 104.17,
    "beta": 105.16,
    "gamma": 100.50
  },
  "wavelengths": [0.88600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,1.200],
    "number_observations_unique": 75066,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 19.910
      },
      {
        "type": "Completeness",
        "value": 84.400
      },
      {
        "type": "Redundancy",
        "value": 8.54
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.23,1.20],
      "number_observations": 8104,
      "number_observations_unique": 2465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.418
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 37.40
        }
      ]
    },
    {
      "resolution_limits": [1.26,1.23],
      "number_observations": 10775,
      "number_observations_unique": 3079,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.375
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 48.30
        }
      ]
    },
    {
      "resolution_limits": [1.30,1.26],
      "number_observations": 13469,
      "number_observations_unique": 3846,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "I/SigI",
          "value": 4.7
        },
        {
          "type": "Completeness",
          "value": 61.50
        }
      ]
    },
    {
      "resolution_limits": [1.34,1.30],
      "number_observations": 17088,
      "number_observations_unique": 4953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.235
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 82.10
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.34],
      "number_observations": 20659,
      "number_observations_unique": 5485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "I/SigI",
          "value": 6.3
        },
        {
          "type": "Completeness",
          "value": 93.40
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.39],
      "number_observations": 20984,
      "number_observations_unique": 5323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 8.1
        },
        {
          "type": "Completeness",
          "value": 93.60
        }
      ]
    },
    {
      "resolution_limits": [1.49,1.43],
      "number_observations": 20390,
      "number_observations_unique": 5171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "I/SigI",
          "value": 9.9
        },
        {
          "type": "Completeness",
          "value": 94.30
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.49],
      "number_observations": 19669,
      "number_observations_unique": 4986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "I/SigI",
          "value": 12.7
        },
        {
          "type": "Completeness",
          "value": 94.40
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.55],
      "number_observations": 19004,
      "number_observations_unique": 4819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 15.7
        },
        {
          "type": "Completeness",
          "value": 95.10
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.62],
      "number_observations": 18086,
      "number_observations_unique": 4596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 18.2
        },
        {
          "type": "Completeness",
          "value": 95.00
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.70],
      "number_observations": 25538,
      "number_observations_unique": 4426,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 22.6
        },
        {
          "type": "Completeness",
          "value": 95.40
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.79],
      "number_observations": 24335,
      "number_observations_unique": 4152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 27.0
        },
        {
          "type": "Completeness",
          "value": 96.00
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.90],
      "number_observations": 22882,
      "number_observations_unique": 3913,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 32.1
        },
        {
          "type": "Completeness",
          "value": 96.20
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.03],
      "number_observations": 21583,
      "number_observations_unique": 3707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 37.7
        },
        {
          "type": "Completeness",
          "value": 96.40
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.19],
      "number_observations": 19452,
      "number_observations_unique": 3364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 40.7
        },
        {
          "type": "Completeness",
          "value": 97.10
        }
      ]
    },
    {
      "resolution_limits": [2.68,2.40],
      "number_observations": 17596,
      "number_observations_unique": 3062,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 42.8
        },
        {
          "type": "Completeness",
          "value": 96.90
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.68],
      "number_observations": 15360,
      "number_observations_unique": 2718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 45.1
        },
        {
          "type": "Completeness",
          "value": 97.60
        }
      ]
    },
    {
      "resolution_limits": [3.79,3.10],
      "number_observations": 12168,
      "number_observations_unique": 2311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 45.3
        },
        {
          "type": "Completeness",
          "value": 97.60
        }
      ]
    },
    {
      "resolution_limits": [5.36,3.79],
      "number_observations": 7979,
      "number_observations_unique": 1746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 41.0
        },
        {
          "type": "Completeness",
          "value": 96.60
        }
      ]
    },
    {
      "resolution_limits": [25,5.36],
      "number_observations": 3921,
      "number_observations_unique": 944,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 37.9
        },
        {
          "type": "Completeness",
          "value": 93.10
        }
      ]
    }
  ]

}
  

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


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