Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f22674b7aa47cdca5c9c878cc691a5e1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.20,
"b": 58.29,
"c": 121.90,
"alpha": 90.00,
"beta": 94.78,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.060,2.400],
"number_observations_unique": 36616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 15635,
"number_observations_unique": 3809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "R(meas)",
"value": 0.674
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.714
}
]
},
{
"resolution_limits": [65.970,8.980],
"number_observations": 2945,
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
}
]
}