Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d00d497a14d1a500d0e464bf9ddbfb82",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.829,
"b": 53.253,
"c": 44.449,
"alpha": 90.00,
"beta": 102.71,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.490,1.580],
"number_observations": 118051,
"number_observations_unique": 35453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 4454,
"number_observations_unique": 1722,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.475
},
{
"type": "R(meas)",
"value": 1.851
},
{
"type": "R(pim)",
"value": 1.099
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [55.490,8.650],
"number_observations": 874,
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}