Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b1c7efd4900f71e4ed37f4e34c72d9e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.782,
"b": 81.310,
"c": 31.914,
"alpha": 90.00,
"beta": 117.78,
"gamma": 90.00
},
"wavelengths": [0.91199],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.655,1.181],
"number_observations": 92111,
"number_observations_unique": 31875,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 83.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.292,1.181],
"number_observations": 2700,
"number_observations_unique": 1596,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 31.700
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [40.655,3.586],
"number_observations": 5031,
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}