Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32a981451befbe64e4b2c84f2aa32240",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.62,
"b": 79.60,
"c": 89.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.600,1.480],
"number_observations": 493015,
"number_observations_unique": 75330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 36896,
"number_observations_unique": 5522,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.153
},
{
"type": "R(meas)",
"value": 2.334
},
{
"type": "R(pim)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.426
}
]
},
{
"resolution_limits": [79.600,6.620],
"number_observations": 6269,
"number_observations_unique": 975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}