Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6220237acedf2318fa2fcc5a746706ca",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 35.513,
"b": 58.286,
"c": 68.085,
"alpha": 90.00,
"beta": 103.56,
"gamma": 90.00
},
"wavelengths": [1.12713],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.290,1.40],
"number_observations": 244146,
"number_observations_unique": 53247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.140],
"number_observations": 5015,
"number_observations_unique": 2499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 17.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [58.290,3.600],
"number_observations": 9283,
"number_observations_unique": 2889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}