Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c61b107b65e5f03cc9d61cd1bc1de1c0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.135,
"b": 64.291,
"c": 74.715,
"alpha": 90.00,
"beta": 125.81,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.820,1.970],
"number_observations": 130776,
"number_observations_unique": 31827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 8471,
"number_observations_unique": 2153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [34.820,9.020],
"number_observations": 1286,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}