Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e4b66922a60667ce5d3567d3ce2862a",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 90.29,
"b": 117.59,
"c": 41.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.50200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.0,2.500],
"number_observations_unique": 14968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 9.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations_unique": 551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 71.2
},
{
"type": "Redundancy",
"value": 10.6
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "Completeness",
"value": 72.9
},
{
"type": "Redundancy",
"value": 10.3
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "Completeness",
"value": 76.6
},
{
"type": "Redundancy",
"value": 10.4
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "Completeness",
"value": 81.2
},
{
"type": "Redundancy",
"value": 10.3
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 83.8
},
{
"type": "Redundancy",
"value": 10.1
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 87.5
},
{
"type": "Redundancy",
"value": 9.8
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 9.4
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 9.7
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.7
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.5
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.4
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 9.4
}
]
},
{
"resolution_limits": [6.760,5.380],
"number_observations_unique": 826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 9.0
}
]
},
{
"resolution_limits": [30.000,6.760],
"number_observations_unique": 878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 9.2
}
]
}
]
}