Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55fd8c26cfc2e9bbc722732f90d3d7cf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 87.952,
"b": 91.560,
"c": 117.329,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.180,3.490],
"number_observations": 161488,
"number_observations_unique": 12584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.365
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.680,3.490],
"number_observations": 24322,
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.459
},
{
"type": "R(meas)",
"value": 1.516
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
},
{
"resolution_limits": [72.180,11.040],
"number_observations": 5258,
"number_observations_unique": 462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}