Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eaf1394add0a5059b4b663add586d584",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.034,
"b": 70.039,
"c": 85.317,
"alpha": 102.81,
"beta": 96.07,
"gamma": 112.42
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.290,2.080],
"number_observations": 240931,
"number_observations_unique": 70329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.080],
"number_observations": 15978,
"number_observations_unique": 4478,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.857
},
{
"type": "R(meas)",
"value": 2.189
},
{
"type": "R(pim)",
"value": 1.146
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.409
}
]
},
{
"resolution_limits": [81.290,9.970],
"number_observations": 2391,
"number_observations_unique": 638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}