Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05e191172bc9a1ccc2589438e17663ac",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 93.253,
"b": 147.310,
"c": 99.327,
"alpha": 90.00,
"beta": 103.11,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.310,2.650],
"number_observations_unique": 75715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.650],
"number_observations_unique": 4488,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.247
},
{
"type": "R(meas)",
"value": 1.482
},
{
"type": "R(pim)",
"value": 0.794
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.456
}
]
},
{
"resolution_limits": [77.310,13.250],
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}