Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95180b02169836bc4d1b068ef5b3fe18",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 57.79,
"b": 86.14,
"c": 46.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.790,1.460],
"number_observations": 202116,
"number_observations_unique": 36065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.460],
"number_observations": 3586,
"number_observations_unique": 2112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 36.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [57.790,4.630],
"number_observations": 9344,
"number_observations_unique": 1423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
}
]
}