Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31384d6c5845a7adfefa6db6cf6756e8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.050,
"b": 121.372,
"c": 76.545,
"alpha": 90.00,
"beta": 102.01,
"gamma": 90.00
},
"wavelengths": [0.95366],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.460,2.25],
"number_observations_unique": 44544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 15896,
"number_observations_unique": 4479,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.334
},
{
"type": "R(meas)",
"value": 1.583
},
{
"type": "R(pim)",
"value": 0.843
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.335
}
]
},
{
"resolution_limits": [49.460,8.590],
"number_observations": 3180,
"number_observations_unique": 890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}