Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "515ad94aea90f4571b71bdb13a5ccef7",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 60.849,
"b": 60.849,
"c": 410.701,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.890,3.190],
"number_observations_unique": 13567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.410,3.190],
"number_observations": 11102,
"number_observations_unique": 2415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.754
},
{
"type": "R(meas)",
"value": 0.850
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [48.890,9.020],
"number_observations": 2802,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}