Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3da5a918cd8d86991f656015bd8094bb",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.009,
"b": 70.028,
"c": 85.753,
"alpha": 103.16,
"beta": 96.14,
"gamma": 112.25
},
"wavelengths": [0.91259],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.540,2.200],
"number_observations": 203674,
"number_observations_unique": 59851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 15485,
"number_observations_unique": 4567,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.536
},
{
"type": "R(meas)",
"value": 1.847
},
{
"type": "R(pim)",
"value": 1.007
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
},
{
"resolution_limits": [81.540,9.580],
"number_observations": 2700,
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}