Data quality metrics extracted from 3ecd.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": "88b4d1c4eeb3099e766961ff1bdc0677",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.212,
    "b": 61.865,
    "c": 117.577,
    "alpha": 97.79,
    "beta": 89.97,
    "gamma": 110.24
  },
  "wavelengths": [0.99994],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.222,1.400],
    "number_observations_unique": 190206,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 12.358
      },
      {
        "type": "Completeness",
        "value": 94.600
      },
      {
        "type": "Redundancy",
        "value": 2.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.60],
      "number_observations": 54497,
      "number_observations_unique": 25383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.408
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 86.40
        },
        {
          "type": "Redundancy",
          "value": 2.10
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.69],
      "number_observations": 57302,
      "number_observations_unique": 26335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 94.80
        },
        {
          "type": "Redundancy",
          "value": 2.20
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.79],
      "number_observations": 53937,
      "number_observations_unique": 24882,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 95.40
        },
        {
          "type": "Redundancy",
          "value": 2.20
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.91],
      "number_observations": 50523,
      "number_observations_unique": 23345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 7.3
        },
        {
          "type": "Completeness",
          "value": 95.90
        },
        {
          "type": "Redundancy",
          "value": 2.20
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.07],
      "number_observations": 46376,
      "number_observations_unique": 21536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 10.1
        },
        {
          "type": "Completeness",
          "value": 96.20
        },
        {
          "type": "Redundancy",
          "value": 2.20
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.26],
      "number_observations": 41861,
      "number_observations_unique": 19499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 15.2
        },
        {
          "type": "Completeness",
          "value": 96.40
        },
        {
          "type": "Redundancy",
          "value": 2.10
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.53],
      "number_observations": 36732,
      "number_observations_unique": 17252,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 19.1
        },
        {
          "type": "Completeness",
          "value": 96.80
        },
        {
          "type": "Redundancy",
          "value": 2.10
        }
      ]
    },
    {
      "resolution_limits": [3.58,2.92],
      "number_observations": 30534,
      "number_observations_unique": 14501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 22.1
        },
        {
          "type": "Completeness",
          "value": 96.50
        },
        {
          "type": "Redundancy",
          "value": 2.10
        }
      ]
    },
    {
      "resolution_limits": [5.06,3.58],
      "number_observations": 22921,
      "number_observations_unique": 11164,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 25.5
        },
        {
          "type": "Completeness",
          "value": 96.20
        },
        {
          "type": "Redundancy",
          "value": 2.10
        }
      ]
    },
    {
      "resolution_limits": [58.22,5.06],
      "number_observations": 13967,
      "number_observations_unique": 6309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 26.2
        },
        {
          "type": "Completeness",
          "value": 99.00
        },
        {
          "type": "Redundancy",
          "value": 2.20
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 58.222 58.220 1.790
High resolution limit [Å] 1.400 5.060 1.690
R(merge) 0.0440 0.0210 0.2790
Completeness [%] 94.6 99.0 94.8
Multiplicity 2.1 2.2 2.2


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
58.220-5.060 0.0210 99.0 2.2
5.060-3.580 0.0220 96.2 2.1
3.580-2.920 0.0260 96.5 2.1
2.920-2.530 0.0340 96.8 2.1
2.530-2.260 0.0450 96.4 2.1
2.260-2.070 0.0630 96.2 2.2
2.070-1.910 0.0990 95.9 2.2
1.910-1.790 0.1660 95.4 2.2
1.790-1.690 0.2790 94.8 2.2
1.690-1.600 0.4080 86.4 2.1