Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97d50113f9d7be7770faae18a32c08dc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.716,
"b": 56.384,
"c": 101.685,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.670,1.620],
"number_observations": 220775,
"number_observations_unique": 40527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.620],
"number_observations": 31950,
"number_observations_unique": 6375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.667
},
{
"type": "R(meas)",
"value": 0.745
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.635
}
]
},
{
"resolution_limits": [21.670,4.860],
"number_observations": 10013,
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}