Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0fa7df2e49f6d249cb8033c7675f504",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 95.155,
"b": 95.155,
"c": 95.155,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.600,1.090],
"number_observations": 465148,
"number_observations_unique": 115628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.090],
"number_observations": 18453,
"number_observations_unique": 5650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.925
},
{
"type": "R(meas)",
"value": 1.097
},
{
"type": "R(pim)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.559
}
]
},
{
"resolution_limits": [42.550,5.970],
"number_observations": 3250,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 66.500
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}