Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "550ad17cadd4bcb012f6d1822a5d38eb",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 84.959,
"b": 145.859,
"c": 144.152,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.413,2.89],
"number_observations_unique": 20329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.903,2.893],
"number_observations": 2613,
"number_observations_unique": 192,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.539
},
{
"type": "R(meas)",
"value": 1.597
},
{
"type": "R(pim)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [73.413,13.403],
"number_observations": 2250,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}