Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38178180e375ea54197fb7534f536742",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.474,
"b": 70.891,
"c": 64.090,
"alpha": 90.0,
"beta": 102.7,
"gamma": 90.0
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.520,1.91],
"number_observations_unique": 28858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 44769,
"number_observations_unique": 2709,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.206
},
{
"type": "R(meas)",
"value": 1.244
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.500
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [62.520,6.970],
"number_observations": 12519,
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}