Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba953a8aa1afc4634f5891930eecfa96",
"space_group_name": "P 61",
"unit_cell": {
"a": 78.550,
"b": 78.550,
"c": 83.604,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations": 76779,
"number_observations_unique": 26880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 2190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.910,1.850],
"number_observations_unique": 2209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.980,1.910],
"number_observations_unique": 2186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.060,1.980],
"number_observations_unique": 2209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.150,2.060],
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.270,2.150],
"number_observations_unique": 2229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.410,2.270],
"number_observations_unique": 2252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.600,2.410],
"number_observations_unique": 2262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.860,2.600],
"number_observations_unique": 2258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.270,2.860],
"number_observations_unique": 2277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.120,3.270],
"number_observations_unique": 2269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [50.000,4.120],
"number_observations_unique": 2298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
}
]
}