Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "275004d9b94977a00c82be1dbb71f077",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.382,
"b": 56.499,
"c": 101.802,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.450,1.410],
"number_observations": 368322,
"number_observations_unique": 62184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.410],
"number_observations": 41179,
"number_observations_unique": 6948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [21.450,5.080],
"number_observations": 9514,
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 41.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}