Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a13dd348966c04a7193d63bbdd0eb17",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.17,
"b": 75.61,
"c": 83.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.740,1.850],
"number_observations": 255230,
"number_observations_unique": 22433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 13026,
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.360
},
{
"type": "R(meas)",
"value": 1.437
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [41.740,9.060],
"number_observations": 2312,
"number_observations_unique": 243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}