Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "957429d6a7436192eba26a0d6e498e1a",
"space_group_name": "P 43 3 2",
"unit_cell": {
"a": 63.46,
"b": 63.46,
"c": 63.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.640,2.300],
"number_observations_unique": 2214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 4492,
"number_observations_unique": 309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [36.640,7.270],
"number_observations": 995,
"number_observations_unique": 97,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 31.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}