Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "88f31f9e9612251c98ea0f4fec07aa14",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.501,
"b": 83.938,
"c": 59.057,
"alpha": 90.00,
"beta": 108.05,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.960,1.830],
"number_observations": 306242,
"number_observations_unique": 45485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.830],
"number_observations": 14750,
"number_observations_unique": 2748,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.674
},
{
"type": "R(meas)",
"value": 4.080
},
{
"type": "R(pim)",
"value": 1.752
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [83.960,8.960],
"number_observations": 2495,
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}