Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8aacda292a83d626411c36ace55870ea",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 51.166,
"b": 155.827,
"c": 89.624,
"alpha": 90.0,
"beta": 102.9,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.500,2.000],
"number_observations": 195045,
"number_observations_unique": 46029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 13770,
"number_observations_unique": 3393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.955
},
{
"type": "R(meas)",
"value": 1.096
},
{
"type": "R(pim)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [47.500,8.940],
"number_observations": 2313,
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}