Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4dbe550bb9bcc346b4d777f83c2ebc36",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.697,
"b": 51.043,
"c": 73.781,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.59,1.57],
"number_observations_unique": 20834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 28.6
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [24.59,8.62],
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 85.8
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.60,1.57],
"number_observations_unique": 1002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "R(meas)",
"value": 0.873
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
}
]
}