Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e71ff07acad08f78ad550b989c7ccdd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.254,
"b": 62.592,
"c": 74.354,
"alpha": 90.00,
"beta": 126.61,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.860,1.750],
"number_observations": 172034,
"number_observations_unique": 43659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 9004,
"number_observations_unique": 2296,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.124
},
{
"type": "R(meas)",
"value": 1.285
},
{
"type": "R(pim)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.376
}
]
},
{
"resolution_limits": [47.860,9.080],
"number_observations": 1078,
"number_observations_unique": 318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 42.700
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}