Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "366c8c974ac289a4fe6e315e764aa783",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.014,
"b": 70.581,
"c": 72.205,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.40000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.600,1.840],
"number_observations": 337371,
"number_observations_unique": 27501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 14672,
"number_observations_unique": 1544,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.179
},
{
"type": "R(meas)",
"value": 1.247
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [46.600,9.020],
"number_observations": 2853,
"number_observations_unique": 287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 52.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}