Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "120b5fe4fd9400574b8247e747199db1",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.426,
"b": 59.817,
"c": 79.902,
"alpha": 79.61,
"beta": 81.70,
"gamma": 75.99
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.480,1.520],
"number_observations": 215289,
"number_observations_unique": 125392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.520],
"number_observations": 26443,
"number_observations_unique": 18365,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.258
},
{
"type": "R(meas)",
"value": 1.779
},
{
"type": "R(pim)",
"value": 1.258
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.401
}
]
},
{
"resolution_limits": [41.480,4.810],
"number_observations": 7019,
"number_observations_unique": 3902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}