Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc2328bd202e68755cd3798f5b3290d5",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.82,
"b": 91.17,
"c": 99.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.540,1.720],
"number_observations": 417596,
"number_observations_unique": 32432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.720],
"number_observations": 27792,
"number_observations_unique": 2378,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.328
},
{
"type": "R(meas)",
"value": 1.388
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [33.540,7.690],
"number_observations": 4676,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 54.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}