Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2b0a4a7a694c861eab00cb703f5724e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.741,
"b": 85.818,
"c": 124.747,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.310,1.920],
"number_observations": 252650,
"number_observations_unique": 38413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 17568,
"number_observations_unique": 2667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.958
},
{
"type": "R(meas)",
"value": 1.039
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [29.310,8.570],
"number_observations": 3025,
"number_observations_unique": 507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 52.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}