Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a78b0c97520599fc2e21366ba6fea85",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 161.329,
"b": 161.329,
"c": 82.165,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.570,2.650],
"number_observations": 125211,
"number_observations_unique": 18760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.650],
"number_observations_unique": 2419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "R(meas)",
"value": 0.635
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.217
}
]
},
{
"resolution_limits": [2.78,2.65],
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}