Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e84fd08389a1bf13c76b451976a12ba0",
"space_group_name": "P 1",
"unit_cell": {
"a": 45.626,
"b": 46.748,
"c": 48.162,
"alpha": 88.70,
"beta": 61.70,
"gamma": 81.67
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.34,1.61],
"number_observations_unique": 43409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
"refln_shells": [
{
"resolution_limits": [1.65,1.61],
"number_observations_unique": 3130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.987
},
{
"type": "R(meas)",
"value": 1.396
},
{
"type": "R(pim)",
"value": 0.987
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.503
}
]
},
{
"resolution_limits": [42.34,7.2],
"number_observations_unique": 500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.334
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
}
]
}