Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26f259e186127e85c2778adbd9697233",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.346,
"b": 53.814,
"c": 115.824,
"alpha": 90.00,
"beta": 100.46,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.110,2.090],
"number_observations": 217656,
"number_observations_unique": 31569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.090],
"number_observations": 17389,
"number_observations_unique": 2459,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.279
},
{
"type": "R(meas)",
"value": 2.459
},
{
"type": "R(pim)",
"value": 0.913
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.406
}
]
},
{
"resolution_limits": [39.110,9.110],
"number_observations": 2721,
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}