Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "054fee5e44d3eecf4d211d82c6d61a70",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.581,
"b": 108.283,
"c": 112.361,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.970,1.970],
"number_observations": 463305,
"number_observations_unique": 69798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,1.970],
"number_observations": 63701,
"number_observations_unique": 10045,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.968
},
{
"type": "R(meas)",
"value": 2.144
},
{
"type": "R(pim)",
"value": 0.843
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.421
}
]
},
{
"resolution_limits": [77.970,6.220],
"number_observations": 14392,
"number_observations_unique": 2414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}