Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "874762d56528c2621fabd007b7d77874",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 53.330,
"b": 75.668,
"c": 99.379,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.990,2.7960],
"number_observations_unique": 10462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 20393,
"number_observations_unique": 1485,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.108
},
{
"type": "R(meas)",
"value": 1.150
},
{
"type": "R(pim)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [46.990,8.840],
"number_observations": 4155,
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}