Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4bb628542f0f5d0c774cbb9614187cec",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 98.64,
"b": 98.64,
"c": 158.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.190,2.600],
"number_observations_unique": 12365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.600],
"number_observations_unique": 1772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [31.190,8.220],
"number_observations_unique": 425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}