Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61d8e29c9da8ce953efbc41fe3da92a1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.465,
"b": 39.477,
"c": 39.398,
"alpha": 90.00,
"beta": 98.53,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.0940,1.950],
"number_observations_unique": 12611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 4916,
"number_observations_unique": 822,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.436
},
{
"type": "R(meas)",
"value": 1.573
},
{
"type": "R(pim)",
"value": 0.628
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.511
}
]
},
{
"resolution_limits": [57.090,8.950],
"number_observations": 901,
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}