Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8b43e03608bdcb786bb98d29aaa9f0a9",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.803,
"b": 88.803,
"c": 39.603,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.710,0.970],
"number_observations": 1225624,
"number_observations_unique": 181563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 58090,
"number_observations_unique": 8845,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.084
},
{
"type": "R(meas)",
"value": 2.264
},
{
"type": "R(pim)",
"value": 0.872
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.463
}
]
},
{
"resolution_limits": [39.710,5.310],
"number_observations": 8076,
"number_observations_unique": 1192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}