Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22de4d5fa6f9e10d60f039366b84daab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.735,
"b": 158.003,
"c": 162.404,
"alpha": 90.00,
"beta": 96.06,
"gamma": 90.00
},
"wavelengths": [1.12720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.23,1.97],
"number_observations_unique": 283435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1301
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 13645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9094
},
{
"type": "R(meas)",
"value": 1.129
},
{
"type": "R(pim)",
"value": 0.559
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [52.290,5.350],
"number_observations_unique": 14627,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 46.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
}
]
}