Data quality metrics extracted from 4mlj.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": "2312c81a683998c263ecc79197612e83",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 80.61,
    "b": 97.24,
    "c": 148.46,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.410],
    "number_observations_unique": 52574,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.430
      },
      {
        "type": "I/SigI",
        "value": 4.210
      },
      {
        "type": "Completeness",
        "value": 79.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.500,1.410],
      "number_observations": 14267,
      "number_observations_unique": 7175,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 0.090
        },
        {
          "type": "Completeness",
          "value": 20.000
        }
      ]
    },
    {
      "resolution_limits": [1.600,1.500],
      "number_observations": 54572,
      "number_observations_unique": 19618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 0.200
        },
        {
          "type": "Completeness",
          "value": 58.000
        }
      ]
    },
    {
      "resolution_limits": [1.730,1.600],
      "number_observations": 106156,
      "number_observations_unique": 28276,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 0.340
        },
        {
          "type": "Completeness",
          "value": 89.700
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.730],
      "number_observations": 191471,
      "number_observations_unique": 29020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 0.850
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.110,1.890],
      "number_observations": 218546,
      "number_observations_unique": 26368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 2.070
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.110],
      "number_observations": 193243,
      "number_observations_unique": 23314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 4.230
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.440],
      "number_observations": 164987,
      "number_observations_unique": 19796,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 7.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.220,2.990],
      "number_observations": 126907,
      "number_observations_unique": 15496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 14.520
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50,4.220],
      "number_observations": 69156,
      "number_observations_unique": 8849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 21.700
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    }
  ]

}
  

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


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