Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6353e5fc4e0ec2f7a89854e9a79af6e9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.489,
"b": 52.630,
"c": 44.593,
"alpha": 90.00,
"beta": 102.98,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.860,1.480],
"number_observations": 130506,
"number_observations_unique": 41573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.480],
"number_observations": 4298,
"number_observations_unique": 1988,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.243
},
{
"type": "R(meas)",
"value": 1.561
},
{
"type": "R(pim)",
"value": 0.932
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [54.860,7.970],
"number_observations": 1082,
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 31.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}