Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc2b4c07507a850ea72380fb3a724719",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.058,
"b": 52.901,
"c": 44.343,
"alpha": 90.00,
"beta": 102.72,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.700,1.770],
"number_observations": 93960,
"number_observations_unique": 25091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.770],
"number_observations": 13246,
"number_observations_unique": 3630,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.930
},
{
"type": "R(meas)",
"value": 2.256
},
{
"type": "R(pim)",
"value": 1.152
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.363
}
]
},
{
"resolution_limits": [47.700,5.590],
"number_observations": 3020,
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}