Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3465e0284408d30f41b2ce272744598",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 107.775,
"b": 107.775,
"c": 319.633,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.980,2.390],
"number_observations_unique": 75461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.390],
"number_observations": 41119,
"number_observations_unique": 4302,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.245
},
{
"type": "R(meas)",
"value": 1.314
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [48.980,11.930],
"number_observations": 5453,
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}