Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e968735a84c3f926e6a01db97c1faa50",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.786,
"b": 58.102,
"c": 114.477,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.3000,1.480],
"number_observations": 361435,
"number_observations_unique": 58365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 24076,
"number_observations_unique": 4241,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.233
},
{
"type": "R(meas)",
"value": 1.358
},
{
"type": "R(pim)",
"value": 0.562
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [58.080,6.620],
"number_observations": 4568,
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 60.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}