Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b3c9f9408e032cd6cc39ddac44eee0a",
"space_group_name": "P 4",
"unit_cell": {
"a": 119.019,
"b": 119.019,
"c": 44.310,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.280,1.970],
"number_observations_unique": 42961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 9650,
"number_observations_unique": 3088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [53.230,9.030],
"number_observations": 2089,
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}