Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "28ee2bc141f4bf7a19878cab01837651",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.839,
"b": 55.130,
"c": 75.947,
"alpha": 103.99,
"beta": 100.39,
"gamma": 108.46
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.760,1.230],
"number_observations": 658243,
"number_observations_unique": 179731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.230],
"number_observations": 28193,
"number_observations_unique": 7512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.348
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 74.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [70.760,6.730],
"number_observations": 4091,
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 41.900
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}