Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a4952b600f9de8e30e0341b4cf2b44e1",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 94.031,
"b": 94.031,
"c": 130.977,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.660,2.000],
"number_observations": 1149362,
"number_observations_unique": 40406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 86173,
"number_observations_unique": 2919,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.729
},
{
"type": "R(meas)",
"value": 6.844
},
{
"type": "R(pim)",
"value": 1.244
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.500
},
{
"type": "CC(1/2)",
"value": 0.204
}
]
},
{
"resolution_limits": [46.660,8.940],
"number_observations": 11667,
"number_observations_unique": 537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 61.300
},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
"value": 21.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}