Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce1361a72aa44abe06d8b7f16686e61d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.042,
"b": 111.976,
"c": 164.684,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.2051,1.950],
"number_observations_unique": 71179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.950],
"number_observations": 38480,
"number_observations_unique": 4528,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.175
},
{
"type": "R(meas)",
"value": 5.507
},
{
"type": "R(pim)",
"value": 1.831
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.409
}
]
},
{
"resolution_limits": [39.200,9.350],
"number_observations": 10209,
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 41.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}