Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0db79d1600284ed7c849a6edba373342",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 53.023,
"b": 70.287,
"c": 119.166,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.450,1.640],
"number_observations": 785870,
"number_observations_unique": 54706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.640],
"number_observations": 33586,
"number_observations_unique": 2561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "R(meas)",
"value": 0.765
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [45.450,9.010],
"number_observations": 4651,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 59.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}