Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d0518174fa9195f0f28b247935e7832",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 63.025,
"b": 89.355,
"c": 61.434,
"alpha": 90.00,
"beta": 97.07,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.970,1.460],
"number_observations_unique": 56264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations_unique": 3720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(meas)",
"value": 0.800
},
{
"type": "R(pim)",
"value": 0.488
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
},
{
"resolution_limits": [60.960,6.530],
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.9
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}