Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df9a669b12fe302f8f5928a1aeb9ebe2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.25,
"b": 93.02,
"c": 164.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.330,2.050],
"number_observations_unique": 48356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 22639,
"number_observations_unique": 3499,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.365
},
{
"type": "R(meas)",
"value": 1.486
},
{
"type": "R(pim)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [82.320,9.170],
"number_observations": 3633,
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}