Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e887463bd54835d7922a897b2eeb5ca2",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 144.18,
"b": 144.18,
"c": 245.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.180,3.200],
"number_observations": 853392,
"number_observations_unique": 42890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.320,3.200],
"number_observations": 92999,
"number_observations_unique": 4415,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.362
},
{
"type": "R(meas)",
"value": 4.468
},
{
"type": "R(pim)",
"value": 0.964
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [49.180,11.970],
"number_observations": 15260,
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 29.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 16.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}