Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ef021941b3523f7905516404ebc73e2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.415,
"b": 51.513,
"c": 69.847,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [2.47970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.420,2.250],
"number_observations": 362297,
"number_observations_unique": 8133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 44.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 14886,
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.966
},
{
"type": "R(meas)",
"value": 2.014
},
{
"type": "R(pim)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 22.700
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [47.420,9.000],
"number_observations": 7448,
"number_observations_unique": 170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 66.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 43.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}