Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fe64a83a741c2f6ec473284769e03aa",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 114.569,
"b": 114.569,
"c": 123.186,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations_unique": 12225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 19.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.80],
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 9.10
}
]
},
{
"resolution_limits": [3.02,2.90],
"number_observations_unique": 1195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 15.60
}
]
},
{
"resolution_limits": [3.15,3.02],
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 20.90
}
]
},
{
"resolution_limits": [3.32,3.15],
"number_observations_unique": 1193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.80
}
]
},
{
"resolution_limits": [3.53,3.32],
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.80
}
]
},
{
"resolution_limits": [3.80,3.53],
"number_observations_unique": 1210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.70
}
]
},
{
"resolution_limits": [4.18,3.80],
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.60
}
]
},
{
"resolution_limits": [4.79,4.18],
"number_observations_unique": 1240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 21.20
}
]
},
{
"resolution_limits": [6.03,4.79],
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 20.90
}
]
},
{
"resolution_limits": [50.00,6.03],
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 19.20
}
]
}
]
}