Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37bc71dba6da3071b13e6002b1cf7674",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 42.621,
"b": 42.621,
"c": 268.460,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.911,2.550],
"number_observations_unique": 5392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.550],
"number_observations": 6136,
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.271
},
{
"type": "R(meas)",
"value": 3.456
},
{
"type": "R(pim)",
"value": 1.090
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.405
}
]
},
{
"resolution_limits": [36.910,8.840],
"number_observations": 1336,
"number_observations_unique": 185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 51.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}