Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b19384eab7e82c5f0ab5d1019c3e6a4b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.11,
"b": 60.59,
"c": 85.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.450,1.840],
"number_observations": 190236,
"number_observations_unique": 22187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.840],
"number_observations": 14513,
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.063
},
{
"type": "R(meas)",
"value": 1.126
},
{
"type": "R(pim)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [49.450,8.230],
"number_observations": 1973,
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}