Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c07591e93c213b0b89639d1cafefb89",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.816,
"b": 83.096,
"c": 84.363,
"alpha": 90.00,
"beta": 94.51,
"gamma": 90.00
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.100,2.000],
"number_observations": 208136,
"number_observations_unique": 55826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.348
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 15055,
"number_observations_unique": 4077,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.462
},
{
"type": "R(meas)",
"value": 1.706
},
{
"type": "R(pim)",
"value": 0.868
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.533
}
]
},
{
"resolution_limits": [83.100,8.940],
"number_observations": 2522,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}