Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ab55d14631734d17e8f087b4d923843",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 97.176,
"b": 97.176,
"c": 29.393,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.590,1.960],
"number_observations": 171889,
"number_observations_unique": 11538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 3227,
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.795
},
{
"type": "R(meas)",
"value": 0.880
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.460
}
]
},
{
"resolution_limits": [48.590,8.770],
"number_observations": 2351,
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 15.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}