Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d759712a7419e7d5226a1402b26e2285",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 123.600,
"b": 123.600,
"c": 180.769,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.380,2.900],
"number_observations": 382274,
"number_observations_unique": 15918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,2.900],
"number_observations": 64244,
"number_observations_unique": 2538,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.653
},
{
"type": "R(meas)",
"value": 2.707
},
{
"type": "R(pim)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.300
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [90.380,8.700],
"number_observations": 13596,
"number_observations_unique": 675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}