Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0fad1e3044f52594172bb0c3cadb3f5a",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.238,
"b": 42.238,
"c": 216.736,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [108.370,2.200],
"number_observations": 262685,
"number_observations_unique": 10902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.734
},
{
"type": "R(meas)",
"value": 0.750
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 36657,
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.622
},
{
"type": "R(meas)",
"value": 7.787
},
{
"type": "R(pim)",
"value": 1.576
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.000
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
},
{
"resolution_limits": [108.370,6.950],
"number_observations": 7971,
"number_observations_unique": 445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
}
]
}