Data quality metrics extracted from 1vjh.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": "1eaada1f2206ee1d8d3441ce5fc09a6e",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 45.681,
    "b": 34.261,
    "c": 78.597,
    "alpha": 90.000,
    "beta": 90.008,
    "gamma": 90.000
  },
  "wavelengths": [0.97921],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.10],
    "number_observations_unique": 14582,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "Completeness",
        "value": 99.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        }
      ]
    },
    {
      "resolution_limits": [2.18,2.14],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.18],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.22],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.26],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.31],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.37],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.42],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        }
      ]
    },
    {
      "resolution_limits": [2.56,2.49],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.56],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.65],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.74],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        }
      ]
    },
    {
      "resolution_limits": [3.14,2.98],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        }
      ]
    },
    {
      "resolution_limits": [3.33,3.14],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        }
      ]
    },
    {
      "resolution_limits": [3.59,3.33],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        }
      ]
    },
    {
      "resolution_limits": [3.95,3.59],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        }
      ]
    },
    {
      "resolution_limits": [4.52,3.95],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        }
      ]
    },
    {
      "resolution_limits": [5.69,4.52],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        }
      ]
    },
    {
      "resolution_limits": [30.00,5.69],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        }
      ]
    }
  ]

}
  

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


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