Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9597853b732702bed96e4599775a4669",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.518,
"b": 52.659,
"c": 44.542,
"alpha": 90.00,
"beta": 102.95,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.830,1.530],
"number_observations": 125191,
"number_observations_unique": 38106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.530],
"number_observations": 4280,
"number_observations_unique": 1794,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.023
},
{
"type": "R(meas)",
"value": 1.301
},
{
"type": "R(pim)",
"value": 0.788
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [54.830,8.380],
"number_observations": 964,
"number_observations_unique": 260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}