Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc83f7360c39480756ae4483cfea0980",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.27,
"b": 36.46,
"c": 130.84,
"alpha": 90.00,
"beta": 92.42,
"gamma": 90.00
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.180,1.900],
"number_observations": 155271,
"number_observations_unique": 27299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 6491,
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.098
},
{
"type": "R(meas)",
"value": 1.285
},
{
"type": "R(pim)",
"value": 0.662
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [35.180,9.110],
"number_observations": 1551,
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 54.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}