Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33b2be7c05f20f886a5363650b021c23",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.30,
"b": 74.25,
"c": 101.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.760,1.570],
"number_observations": 588792,
"number_observations_unique": 44249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations_unique": 3213,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.415
},
{
"type": "R(meas)",
"value": 3.564
},
{
"type": "R(pim)",
"value": 1.008
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.512
}
]
},
{
"resolution_limits": [41.760,7.020],
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}