Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "296f919ca11cdd393c6a05b69fdc09b5",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.200,
"b": 74.943,
"c": 119.483,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.866,1.757],
"number_observations_unique": 184657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.757],
"number_observations": 3285,
"number_observations_unique": 879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "R(meas)",
"value": 0.985
},
{
"type": "R(pim)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 65.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [55.866,5.743],
"number_observations": 4399,
"number_observations_unique": 877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}