Data quality metrics extracted from 3mtq.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": "97b6208531a2315176254166576f587e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 89.753,
    "b": 58.370,
    "c": 62.725,
    "alpha": 90.00,
    "beta": 119.37,
    "gamma": 90.00
  },
  "wavelengths": [0.91162,0.97934,0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.351,1.70],
    "number_observations_unique": 30169,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 9.750
      },
      {
        "type": "Completeness",
        "value": 90.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations": 10386,
      "number_observations_unique": 5331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 88.30
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.76],
      "number_observations": 11324,
      "number_observations_unique": 5693,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.328
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 93.50
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.83],
      "number_observations": 11058,
      "number_observations_unique": 5562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 92.90
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.91],
      "number_observations": 12089,
      "number_observations_unique": 6084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 92.60
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.02],
      "number_observations": 10681,
      "number_observations_unique": 5388,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 91.80
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.14],
      "number_observations": 11429,
      "number_observations_unique": 5754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 8.9
        },
        {
          "type": "Completeness",
          "value": 91.60
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.31],
      "number_observations": 10844,
      "number_observations_unique": 5454,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 11.0
        },
        {
          "type": "Completeness",
          "value": 90.20
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.54],
      "number_observations": 10493,
      "number_observations_unique": 5300,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 14.0
        },
        {
          "type": "Completeness",
          "value": 88.50
        }
      ]
    },
    {
      "resolution_limits": [3.66,2.90],
      "number_observations": 10811,
      "number_observations_unique": 5456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 19.8
        },
        {
          "type": "Completeness",
          "value": 87.50
        }
      ]
    },
    {
      "resolution_limits": [27.351,3.66],
      "number_observations": 10723,
      "number_observations_unique": 5439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 24.9
        },
        {
          "type": "Completeness",
          "value": 88.50
        }
      ]
    }
  ]

}
  

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


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