Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63e6b97231d9f512a1bede707df8ab9b",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 110.906,
"b": 110.906,
"c": 180.578,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.420,2.150],
"number_observations": 1184141,
"number_observations_unique": 30998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 38.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations_unique": 2259,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.253
},
{
"type": "R(meas)",
"value": 2.285
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 36.400
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [78.420,9.620],
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 32.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}