Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a7095626c3315376d030b8d7fcd2d56",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 88.135,
"b": 90.045,
"c": 90.745,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97858],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.37,2.297],
"number_observations_unique": 22158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.297],
"number_observations": 7039,
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.101
},
{
"type": "R(meas)",
"value": 1.200
},
{
"type": "R(pim)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 82.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [44.068,7.324],
"number_observations": 5009,
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}