Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce86398c486c14ba99b7d8cdb7baa8f4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.843,
"b": 41.084,
"c": 71.663,
"alpha": 90.00,
"beta": 103.91,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.900,1.607],
"number_observations_unique": 29662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.610],
"number_observations": 7884,
"number_observations_unique": 1287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [31.900,8.800],
"number_observations": 1314,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 36.600
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}