Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "afd03544e1d21d1d8ba2e200a3bb153e",
"space_group_name": "P 43",
"unit_cell": {
"a": 31.164,
"b": 31.164,
"c": 40.530,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950,1.77000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.16,1.45],
"number_observations_unique": 6875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07658
},
{
"type": "R(meas)",
"value": 0.07961
},
{
"type": "R(pim)",
"value": 0.02153
},
{
"type": "I/SigI",
"value": 22.37
},
{
"type": "Completeness",
"value": 98.95
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.502,1.45],
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5901
},
{
"type": "R(meas)",
"value": 0.615
},
{
"type": "R(pim)",
"value": 0.1703
},
{
"type": "I/SigI",
"value": 4.34
},
{
"type": "Completeness",
"value": 97.84
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [1.968,1.9],
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09135
},
{
"type": "R(meas)",
"value": 0.09335
},
{
"type": "R(pim)",
"value": 0.0189
},
{
"type": "I/SigI",
"value": 29.74
},
{
"type": "Completeness",
"value": 96.05
},
{
"type": "Redundancy",
"value": 24.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}