Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0b176131dac37c0366ea33ce583ee44",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 33.10,
"b": 46.46,
"c": 89.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.23,2.60],
"number_observations_unique": 4451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 97.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.69,2.60],
"number_observations_unique": 27,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.80,2.69],
"number_observations_unique": 30,
"quality_factors": [
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.93,2.80],
"number_observations_unique": 18,
"quality_factors": [
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.08,2.93],
"number_observations_unique": 24,
"quality_factors": [
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [3.28,3.08],
"number_observations_unique": 26,
"quality_factors": [
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [3.53,3.28],
"number_observations_unique": 27,
"quality_factors": [
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [3.88,3.53],
"number_observations_unique": 36,
"quality_factors": [
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [4.44,3.88],
"number_observations_unique": 34,
"quality_factors": [
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [5.58,4.44],
"number_observations_unique": 42,
"quality_factors": [
{
"type": "Completeness",
"value": 95.800
}
]
},
{
"resolution_limits": [23.23,5.58],
"number_observations_unique": 49,
"quality_factors": [
{
"type": "Completeness",
"value": 93.200
}
]
}
]
}