Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3dfde20eaffc806778faff249e5a881b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.244,
"b": 83.072,
"c": 58.634,
"alpha": 90.00,
"beta": 108.56,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.570,1.570],
"number_observations": 396144,
"number_observations_unique": 67541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 7466,
"number_observations_unique": 2371,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.302
},
{
"type": "R(meas)",
"value": 1.564
},
{
"type": "R(pim)",
"value": 0.837
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 68.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.362
}
]
},
{
"resolution_limits": [55.570,8.600],
"number_observations": 2822,
"number_observations_unique": 458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 73.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}