Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "716c16719fae62e74527b26eaa4cab28",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.693,
"b": 71.693,
"c": 150.829,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.510,1.140],
"number_observations": 1280869,
"number_observations_unique": 126825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 1430,
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.722
},
{
"type": "R(pim)",
"value": 0.492
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 13.400
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.514
}
]
},
{
"resolution_limits": [29.510,6.250],
"number_observations": 13039,
"number_observations_unique": 1043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}