Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e850ccec8f43e34f0e475c7c161bb17",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.93,
"b": 89.77,
"c": 98.46,
"alpha": 90.00,
"beta": 96.49,
"gamma": 90.00
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.800,1.970],
"number_observations": 240106,
"number_observations_unique": 57310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 15383,
"number_observations_unique": 4194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [40.800,8.810],
"number_observations": 2528,
"number_observations_unique": 655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}