Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95de631e5ba61ef7af2d2a5e9494fc35",
"space_group_name": "P 1",
"unit_cell": {
"a": 62.396,
"b": 82.413,
"c": 92.077,
"alpha": 113.33,
"beta": 90.43,
"gamma": 90.94
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.980,2.080],
"number_observations": 347587,
"number_observations_unique": 100349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.080],
"number_observations": 51390,
"number_observations_unique": 14579,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.991
},
{
"type": "R(meas)",
"value": 2.353
},
{
"type": "R(pim)",
"value": 1.248
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.404
}
]
},
{
"resolution_limits": [75.980,6.570],
"number_observations": 10826,
"number_observations_unique": 3204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}