Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b69056dc4080c6e8852c78dd2eb5fad1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.550,
"b": 49.703,
"c": 115.895,
"alpha": 90.00,
"beta": 95.04,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.570,2.050],
"number_observations": 199133,
"number_observations_unique": 57694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 16490,
"number_observations_unique": 4620,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.069
},
{
"type": "R(meas)",
"value": 2.436
},
{
"type": "R(pim)",
"value": 1.276
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.104
}
]
},
{
"resolution_limits": [115.570,8.710],
"number_observations": 2593,
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 53.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
}
]
}