Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a2bf625c36d82d24a32a616704228dc",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 43.127,
"b": 63.958,
"c": 85.978,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.958,1.576],
"number_observations": 232010,
"number_observations_unique": 31271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.581,1.576],
"number_observations": 2635,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.331
},
{
"type": "R(meas)",
"value": 1.433
},
{
"type": "R(pim)",
"value": 0.526
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [63.958,7.310],
"number_observations": 2518,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 36.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}