Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf0a85c2e8dd03a8220ffde12775820c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.958,
"b": 81.943,
"c": 32.218,
"alpha": 90.00,
"beta": 117.82,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.495,1.051],
"number_observations": 156345,
"number_observations_unique": 51946,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 80.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.107,1.051],
"number_observations": 4819,
"number_observations_unique": 2599,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 30.200
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [28.495,3.082],
"number_observations": 8938,
"number_observations_unique": 2597,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}