Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e32e3bb381f75f11626da38d10f04334",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.645,
"b": 94.036,
"c": 61.305,
"alpha": 90.000,
"beta": 110.069,
"gamma": 90.000
},
"wavelengths": [1.28149],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.110,2.700],
"number_observations": 102560,
"number_observations_unique": 17246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 13112,
"number_observations_unique": 2302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.768
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [49.110,8.950],
"number_observations": 2772,
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}