Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3e0304d7273a68a7c1fd1edc38aa5b6a",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.773,
"b": 88.773,
"c": 39.628,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.390,0.980],
"number_observations": 1087098,
"number_observations_unique": 176765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.980],
"number_observations": 29514,
"number_observations_unique": 8569,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.349
},
{
"type": "R(meas)",
"value": 1.586
},
{
"type": "R(pim)",
"value": 0.804
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.447
}
]
},
{
"resolution_limits": [44.390,5.370],
"number_observations": 8076,
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 39.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}