Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5d8d7279bcc04811faf80dffa04362c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.542,
"b": 64.254,
"c": 163.966,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00009],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.830,1.700],
"number_observations_unique": 63264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations_unique": 4246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "R(meas)",
"value": 1.084
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [44.830,7.970],
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}