Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8db86c2757ebe67dc2eb1ea5fba9e7dc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.643,
"b": 47.976,
"c": 70.804,
"alpha": 90.00,
"beta": 90.84,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.710,1.500],
"number_observations": 318137,
"number_observations_unique": 47234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 2256,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.362
},
{
"type": "R(meas)",
"value": 3.718
},
{
"type": "R(pim)",
"value": 1.561
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
},
{
"resolution_limits": [39.710,8.220],
"number_observations_unique": 323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 53.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
}
]
}