Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6a10a91d0bcb0e5737a2dd035805d31",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.656,
"b": 51.297,
"c": 78.532,
"alpha": 90.00,
"beta": 92.61,
"gamma": 90.00
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.610,1.580],
"number_observations": 319434,
"number_observations_unique": 47014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 9604,
"number_observations_unique": 1695,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.395
},
{
"type": "R(meas)",
"value": 1.527
},
{
"type": "R(pim)",
"value": 0.607
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 68.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.506
}
]
},
{
"resolution_limits": [44.610,8.530],
"number_observations": 2268,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}