Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b8ca80af7c6d1ab438620fd7cc8df29",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.84,
"b": 65.50,
"c": 74.89,
"alpha": 90.00,
"beta": 125.98,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.540,1.260],
"number_observations": 442863,
"number_observations_unique": 119812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.260],
"number_observations": 21782,
"number_observations_unique": 5893,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.025
},
{
"type": "R(meas)",
"value": 1.207
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.122
}
]
},
{
"resolution_limits": [53.540,6.920],
"number_observations": 2810,
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}