Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8b5362b7083531968e0825a0005ec7b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 50.128,
"b": 4.843,
"c": 18.142,
"alpha": 90.0,
"beta": 99.5,
"gamma": 90.0
},
"wavelengths": [0.89543],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,1.900],
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.900],
"number_observations_unique": 74,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [2.250,2.050],
"number_observations_unique": 90,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.580,2.250],
"number_observations_unique": 77,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [3.250,2.580],
"number_observations_unique": 70,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [90.000,3.250],
"number_observations_unique": 104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.300
}
]
}
]
}