Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b218bc273330e31910388385d9f8228b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.861,
"b": 81.232,
"c": 103.900,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.910,1.5980],
"number_observations_unique": 47126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 9484,
"number_observations_unique": 2264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "R(meas)",
"value": 0.833
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [37.910,8.750],
"number_observations": 1452,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}