Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e4985005465eadad3fc5e5c2389ee9f",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 176.89,
"b": 176.89,
"c": 176.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.334,1.930],
"number_observations_unique": 18382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 9355,
"number_observations_unique": 1327,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.736
},
{
"type": "R(meas)",
"value": 1.875
},
{
"type": "R(pim)",
"value": 0.700
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.436
}
]
},
{
"resolution_limits": [53.330,8.630],
"number_observations": 1447,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}