Data quality metrics extracted from 4nmj.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": "8c5ab0424d6e5ea352d12a827d3842d0",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 164.479,
    "b": 184.394,
    "c": 207.753,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.09,2.002],
    "number_observations_unique": 418361,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "I/SigI",
        "value": 21.7
      },
      {
        "type": "Completeness",
        "value": 99.35
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.057,2.002],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.09
        }
      ]
    },
    {
      "resolution_limits": [2.288,2.057],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.62
        }
      ]
    },
    {
      "resolution_limits": [2.545,2.288],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.53
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.545],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.54
        }
      ]
    },
    {
      "resolution_limits": [3.148,2.830],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.45
        }
      ]
    },
    {
      "resolution_limits": [3.501,3.148],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.26
        }
      ]
    },
    {
      "resolution_limits": [3.894,3.501],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.26
        }
      ]
    },
    {
      "resolution_limits": [4.331,3.894],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.13
        }
      ]
    },
    {
      "resolution_limits": [4.817,4.331],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.28
        }
      ]
    },
    {
      "resolution_limits": [5.357,4.817],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.57
        }
      ]
    },
    {
      "resolution_limits": [5.959,5.357],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.90
        }
      ]
    },
    {
      "resolution_limits": [6.627,5.959],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [7.371,6.627],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.85
        }
      ]
    },
    {
      "resolution_limits": [8.198,7.371],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.83
        }
      ]
    },
    {
      "resolution_limits": [9.116,8.198],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.32
        }
      ]
    },
    {
      "resolution_limits": [10.139,9.118],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.80
        }
      ]
    },
    {
      "resolution_limits": [11.278,10.141],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.56
        }
      ]
    },
    {
      "resolution_limits": [12.543,11.279],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.85
        }
      ]
    },
    {
      "resolution_limits": [13.952,12.544],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.10
        }
      ]
    },
    {
      "resolution_limits": [15.507,13.954],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.19
        }
      ]
    },
    {
      "resolution_limits": [17.255,15.521],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.13
        }
      ]
    },
    {
      "resolution_limits": [19.192,17.274],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.6
        }
      ]
    },
    {
      "resolution_limits": [21.348,19.274],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.75
        }
      ]
    },
    {
      "resolution_limits": [23.744,21.349],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.09
        }
      ]
    },
    {
      "resolution_limits": [28.090,23.782],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.03
        }
      ]
    }
  ]

}
  

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


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