Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "beebe5cbb7b555133c65654f2dea5655",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.626,
"b": 70.342,
"c": 57.657,
"alpha": 90.00,
"beta": 92.77,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.590,2.090],
"number_observations": 146343,
"number_observations_unique": 25295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.090],
"number_observations": 20384,
"number_observations_unique": 3675,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.818
},
{
"type": "R(meas)",
"value": 2.005
},
{
"type": "R(pim)",
"value": 0.834
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.447
}
]
},
{
"resolution_limits": [57.590,6.610],
"number_observations": 4577,
"number_observations_unique": 842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}