Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "347416ca8272045c15ef36907f04fef3",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 270.32,
"b": 270.32,
"c": 270.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.230,3.500],
"number_observations": 198500,
"number_observations_unique": 41327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.640,3.500],
"number_observations": 21266,
"number_observations_unique": 21266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.846
},
{
"type": "R(meas)",
"value": 0.960
},
{
"type": "R(pim)",
"value": 0.448
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [38.230,12.620],
"number_observations": 3891,
"number_observations_unique": 906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}