Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ff311a9ceff61d21e0f43676f182213",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.878,
"b": 32.916,
"c": 62.653,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [17.630,0.970],
"number_observations": 243421,
"number_observations_unique": 37886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,0.970],
"number_observations": 31917,
"number_observations_unique": 5183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.467
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [17.630,3.080],
"number_observations": 8417,
"number_observations_unique": 1389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 70.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}