Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a58b89767dbe5d4a6e476783aab85f8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.145,
"b": 47.261,
"c": 46.401,
"alpha": 90.00,
"beta": 103.14,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.260,1.580],
"number_observations": 48625,
"number_observations_unique": 15108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 1996,
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "R(meas)",
"value": 0.623
},
{
"type": "R(pim)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [47.260,8.650],
"number_observations": 329,
"number_observations_unique": 100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.700
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}