Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a67534c92ed24fe44381780210592ca5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.978,
"b": 82.797,
"c": 228.211,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97893],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.110,2.170],
"number_observations": 356676,
"number_observations_unique": 50185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.170],
"number_observations": 52982,
"number_observations_unique": 7169,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.014
},
{
"type": "R(meas)",
"value": 1.090
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [114.110,6.860],
"number_observations": 10854,
"number_observations_unique": 1770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}