Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bde8c33a54c307f31b610129f8676aec",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.75,
"b": 52.81,
"c": 44.52,
"alpha": 90.00,
"beta": 103.09,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.010,1.830],
"number_observations": 78791,
"number_observations_unique": 22508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.830],
"number_observations": 4604,
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.758
},
{
"type": "R(meas)",
"value": 2.117
},
{
"type": "R(pim)",
"value": 1.152
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.285
}
]
},
{
"resolution_limits": [55.010,8.970],
"number_observations": 806,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}