Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dfdc6c5a2e7bed5d35ce82683728042b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 175.710,
"b": 96.775,
"c": 124.796,
"alpha": 90.00,
"beta": 102.74,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [121.720,1.590],
"number_observations": 1357807,
"number_observations_unique": 246478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.590],
"number_observations": 225699,
"number_observations_unique": 38668,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.431
},
{
"type": "R(meas)",
"value": 1.572
},
{
"type": "R(pim)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.434
}
]
},
{
"resolution_limits": [121.720,5.010],
"number_observations": 46957,
"number_observations_unique": 8863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}