Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a54aff36bfa13503f553cf70f5c93cd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 82.04,
"b": 159.56,
"c": 162.95,
"alpha": 90.00,
"beta": 95.75,
"gamma": 90.00
},
"wavelengths": [1.12720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.350,1.690],
"number_observations_unique": 459508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 34249,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.851
},
{
"type": "R(pim)",
"value": 0.944
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.350
}
]
},
{
"resolution_limits": [45.350,7.560],
"number_observations_unique": 5269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 20.3
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}