Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0ea639f0691ad867ed5dca0b2bca16e",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.509,
"b": 95.509,
"c": 45.883,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.760,1.150],
"number_observations": 588195,
"number_observations_unique": 61914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 43.000
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 441,
"number_observations_unique": 434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 12.100
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [33.760,6.300],
"number_observations": 5893,
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 131.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}