Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da97b9b136562b8c5916889644c81d15",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.094,
"b": 96.929,
"c": 58.054,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.030,2.490],
"number_observations": 45089,
"number_observations_unique": 8280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.490],
"number_observations": 2632,
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.900
},
{
"type": "R(meas)",
"value": 1.082
},
{
"type": "R(pim)",
"value": 0.585
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.331
}
]
},
{
"resolution_limits": [29.030,8.970],
"number_observations": 1252,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}