Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00d64a1a235a06c997c012f8a63f68c0",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 116.99,
"b": 116.99,
"c": 63.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.080,2.050],
"number_observations": 199240,
"number_observations_unique": 31359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 12384,
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.975
},
{
"type": "R(meas)",
"value": 1.082
},
{
"type": "R(pim)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.526
}
]
},
{
"resolution_limits": [23.080,8.940],
"number_observations": 3226,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}