Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2638bf3eded4205ba2fb7143d993022",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.45,
"b": 79.27,
"c": 89.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.170,1.600],
"number_observations": 383004,
"number_observations_unique": 58015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 27208,
"number_observations_unique": 4173,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.047
},
{
"type": "R(meas)",
"value": 2.223
},
{
"type": "R(pim)",
"value": 0.859
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.408
}
]
},
{
"resolution_limits": [89.170,7.160],
"number_observations": 4677,
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}