Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6044ffe741caa596eaea70940c0d110e",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 83.365,
"b": 83.365,
"c": 181.155,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.370,3.110],
"number_observations": 178503,
"number_observations_unique": 13728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.320,3.110],
"number_observations": 24453,
"number_observations_unique": 2414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "R(meas)",
"value": 0.688
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [38.370,8.790],
"number_observations": 11613,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}