Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4fb932ade935268cebf541c2b507bf3",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 53.05,
"b": 71.81,
"c": 118.85,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.7820,2.200],
"number_observations_unique": 23387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 21285,
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [45.780,9.070],
"number_observations": 4429,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 30.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}