Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7a34920f1707ed6627853e62e1150d5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 134.413,
"b": 70.125,
"c": 113.081,
"alpha": 90.00,
"beta": 114.24,
"gamma": 90.00
},
"wavelengths": [0.97780,0.95460,0.97830],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.990,2.480],
"number_observations": 124762,
"number_observations_unique": 33076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.480],
"number_observations": 11816,
"number_observations_unique": 3289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.641
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.502
}
]
},
{
"resolution_limits": [28.990,8.960],
"number_observations": 2602,
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}