Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d53c5ee31a17467f30c57371858a3817",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 229.24,
"b": 46.45,
"c": 184.72,
"alpha": 90.00,
"beta": 96.75,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [113.830,2.680],
"number_observations": 212580,
"number_observations_unique": 55107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.680],
"number_observations": 16291,
"number_observations_unique": 4049,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.489
},
{
"type": "R(meas)",
"value": 4.031
},
{
"type": "R(pim)",
"value": 1.997
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [113.830,11.990],
"number_observations": 2414,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 29.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}