Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec92f145f0ae7ffd3a6d3a5f2213f04f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.478,
"b": 112.233,
"c": 62.605,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.070,1.800],
"number_observations_unique": 26174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 1741,
"number_observations_unique": 1174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 59.600
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [34.050,8.050],
"number_observations": 1761,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}