Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f7ea0e6638b2053bd5058adef60b3e7",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 67.336,
"b": 67.336,
"c": 144.427,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.340,2.100],
"number_observations": 83869,
"number_observations_unique": 20125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 7058,
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.004
},
{
"type": "R(meas)",
"value": 1.139
},
{
"type": "R(pim)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [67.340,8.910],
"number_observations": 1202,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 48.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}