Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e2f547ad2ee6e8b295c261ac4b06b6fa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.849,
"b": 48.026,
"c": 70.560,
"alpha": 90.0,
"beta": 90.9,
"gamma": 90.0
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.550,1.540],
"number_observations": 300477,
"number_observations_unique": 44587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.982
},
{
"type": "R(meas)",
"value": 5.513
},
{
"type": "R(pim)",
"value": 2.328
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.225
}
]
},
{
"resolution_limits": [70.550,8.440],
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}