Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95e14841183f4bcc791bd28bd1356770",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 40.73,
"b": 55.69,
"c": 85.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.663,1.570],
"number_observations_unique": 21157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.721,1.574],
"number_observations": 8258,
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.873
},
{
"type": "R(meas)",
"value": 2.006
},
{
"type": "R(pim)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 54.800
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [46.663,4.854],
"number_observations": 9088,
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 33.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}