Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef8127173c40c0e78243cb4c5634015e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.026,
"b": 100.955,
"c": 176.219,
"alpha": 90.00,
"beta": 90.84,
"gamma": 90.00
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [176.200,2.337],
"number_observations_unique": 83265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.340],
"number_observations": 51992,
"number_observations_unique": 12314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.903
},
{
"type": "R(meas)",
"value": 1.030
},
{
"type": "R(pim)",
"value": 0.488
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [176.200,7.390],
"number_observations": 12074,
"number_observations_unique": 2762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}