Data quality metrics extracted from 3mwx.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": "c1b839ca94a805726fdd54917836ed93",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 47.686,
    "b": 119.093,
    "c": 144.689,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97903],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.773,1.45],
    "number_observations_unique": 143533,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 11.020
      },
      {
        "type": "Completeness",
        "value": 97.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.45],
      "number_observations": 65768,
      "number_observations_unique": 25773,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.747
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 94.50
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.50],
      "number_observations": 69726,
      "number_observations_unique": 27071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.592
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 95.80
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.56],
      "number_observations": 69389,
      "number_observations_unique": 26885,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.463
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 96.00
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.63],
      "number_observations": 73801,
      "number_observations_unique": 28602,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.356
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 96.70
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.72],
      "number_observations": 72050,
      "number_observations_unique": 27824,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 96.80
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.83],
      "number_observations": 70007,
      "number_observations_unique": 27083,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 7.6
        },
        {
          "type": "Completeness",
          "value": 97.50
        }
      ]
    },
    {
      "resolution_limits": [2.17,1.97],
      "number_observations": 71568,
      "number_observations_unique": 27687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 11.5
        },
        {
          "type": "Completeness",
          "value": 97.50
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.17],
      "number_observations": 70936,
      "number_observations_unique": 27341,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 15.0
        },
        {
          "type": "Completeness",
          "value": 98.40
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.48],
      "number_observations": 72127,
      "number_observations_unique": 27675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 21.5
        },
        {
          "type": "Completeness",
          "value": 98.60
        }
      ]
    },
    {
      "resolution_limits": [29.773,3.12],
      "number_observations": 72980,
      "number_observations_unique": 27940,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 38.5
        },
        {
          "type": "Completeness",
          "value": 98.40
        }
      ]
    }
  ]

}
  

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


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