Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4472fcbdc726b75d5a0833b6c8e11a8f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.434,
"b": 74.859,
"c": 130.779,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [130.780,1.530],
"number_observations_unique": 69780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.530],
"number_observations": 20257,
"number_observations_unique": 3206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "R(meas)",
"value": 0.794
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [130.780,8.360],
"number_observations": 3062,
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 62.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}