Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51c1cf46e15357eacb66b2be09a8f9b9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.429,
"b": 81.338,
"c": 225.620,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98012],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.980,2.4560],
"number_observations_unique": 34241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.460],
"number_observations": 46068,
"number_observations_unique": 4901,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.192
},
{
"type": "R(meas)",
"value": 1.261
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [65.980,7.770],
"number_observations": 10236,
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 36.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}