Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c89a5dc1ec1cffc1cdb4b1830b50b86",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.380,
"b": 95.380,
"c": 45.812,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.430,1.150],
"number_observations": 589284,
"number_observations_unique": 60819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 443,
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "R(meas)",
"value": 0.814
},
{
"type": "R(pim)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 11.800
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.439
}
]
},
{
"resolution_limits": [67.430,6.300],
"number_observations": 6154,
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 112.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}