Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c216f1daf31bd93f362a3afeb1dcdff8",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 88.578,
"b": 44.416,
"c": 71.564,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.704,2.428],
"number_observations": 56163,
"number_observations_unique": 10859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.428],
"number_observations": 2689,
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "R(meas)",
"value": 0.686
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [39.704,6.581],
"number_observations": 2695,
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}