Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f31694a3dc26322a7f0d030831e6385c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.858,
"b": 42.484,
"c": 107.309,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [107.31,1.820],
"number_observations_unique": 48377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 20211,
"number_observations_unique": 2975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [19.750,8.920],
"number_observations": 2463,
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}