Data quality metrics extracted from 3mrk.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": "cd4be786402bfa6fb33ae670e42fd9a5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.52,
    "b": 79.89,
    "c": 55.43,
    "alpha": 90.00,
    "beta": 111.85,
    "gamma": 90.00
  },
  "wavelengths": [1.07225],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.400],
    "number_observations_unique": 69080,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 9.580
      },
      {
        "type": "Completeness",
        "value": 84.300
      },
      {
        "type": "Redundancy",
        "value": 2.27
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.40],
      "number_observations": 29220,
      "number_observations_unique": 13589,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.383
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 88.90
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.50],
      "number_observations": 23002,
      "number_observations_unique": 10457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.240
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 89.90
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.60],
      "number_observations": 18026,
      "number_observations_unique": 8065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.170
        },
        {
          "type": "I/SigI",
          "value": 5.1
        },
        {
          "type": "Completeness",
          "value": 88.30
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.70],
      "number_observations": 14217,
      "number_observations_unique": 6254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 7.1
        },
        {
          "type": "Completeness",
          "value": 87.00
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.80],
      "number_observations": 10780,
      "number_observations_unique": 4750,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 9.4
        },
        {
          "type": "Completeness",
          "value": 82.30
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.90],
      "number_observations": 9094,
      "number_observations_unique": 3960,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Completeness",
          "value": 84.50
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.00],
      "number_observations": 26464,
      "number_observations_unique": 11356,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 16.1
        },
        {
          "type": "Completeness",
          "value": 82.70
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.50],
      "number_observations": 11641,
      "number_observations_unique": 4862,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 20.2
        },
        {
          "type": "Completeness",
          "value": 80.00
        }
      ]
    },
    {
      "resolution_limits": [4.00,3.00],
      "number_observations": 9500,
      "number_observations_unique": 3766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 22.9
        },
        {
          "type": "Completeness",
          "value": 77.20
        }
      ]
    },
    {
      "resolution_limits": [5.00,4.00],
      "number_observations": 2587,
      "number_observations_unique": 1065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 22.8
        },
        {
          "type": "Completeness",
          "value": 61.10
        }
      ]
    },
    {
      "resolution_limits": [6.00,5.00],
      "number_observations": 1195,
      "number_observations_unique": 465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 23.2
        },
        {
          "type": "Completeness",
          "value": 60.20
        }
      ]
    },
    {
      "resolution_limits": [10.00,6.00],
      "number_observations": 1107,
      "number_observations_unique": 447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 23.2
        },
        {
          "type": "Completeness",
          "value": 53.30
        }
      ]
    },
    {
      "resolution_limits": [50.0,10.00],
      "number_observations": 92,
      "number_observations_unique": 44,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 21.3
        },
        {
          "type": "Completeness",
          "value": 18.20
        }
      ]
    }
  ]

}
  

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


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