Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc201392a725d7b7644270341f774ac1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.969,
"b": 127.460,
"c": 89.540,
"alpha": 90.0,
"beta": 113.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.210,2.040],
"number_observations": 714035,
"number_observations_unique": 109407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.040],
"number_observations": 90207,
"number_observations_unique": 15540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.574
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [39.210,6.460],
"number_observations": 24150,
"number_observations_unique": 3547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}