Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "999c9e1108d6cc46265e94ea5532a4b8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 23.991,
"b": 36.233,
"c": 38.646,
"alpha": 90.00,
"beta": 99.52,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.230,1.400],
"number_observations": 47091,
"number_observations_unique": 12781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 1743,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.487
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [36.230,7.540],
"number_observations": 303,
"number_observations_unique": 92,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 41.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}