Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e655d613e924e5e92ad8c7aa3f66bd5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.560,
"b": 93.330,
"c": 93.897,
"alpha": 90.00,
"beta": 108.12,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.500,1.610],
"number_observations": 407367,
"number_observations_unique": 119893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 30487,
"number_observations_unique": 8854,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.033
},
{
"type": "R(meas)",
"value": 1.224
},
{
"type": "R(pim)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [64.500,7.200],
"number_observations": 5066,
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}