Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37d86ddc1ba40a73de5f9ee600f13d7e",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.401,
"b": 54.728,
"c": 97.115,
"alpha": 88.17,
"beta": 78.74,
"gamma": 86.39
},
"wavelengths": [0.96852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.370,2.200],
"number_observations": 171719,
"number_observations_unique": 49746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 15066,
"number_observations_unique": 4306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.523
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [48.370,9.070],
"number_observations": 2498,
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}