Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8697bfa55f5b4c48da3998bafdbdd4c2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.10,
"b": 57.01,
"c": 115.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.510,1.300],
"number_observations": 519373,
"number_observations_unique": 84834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations": 26596,
"number_observations_unique": 6094,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.250
},
{
"type": "R(meas)",
"value": 1.426
},
{
"type": "R(pim)",
"value": 0.671
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [57.510,5.810],
"number_observations": 6475,
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}