Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2a9ea498a1ec5526fbd44a5f2fa1b054",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.747,
"b": 88.747,
"c": 39.447,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.370,0.970],
"number_observations": 1226987,
"number_observations_unique": 180435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 58598,
"number_observations_unique": 8837,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.222
},
{
"type": "R(meas)",
"value": 1.326
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.740
}
]
},
{
"resolution_limits": [44.370,5.310],
"number_observations": 8027,
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 55.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}