Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ddf5ab6013f1e26a9d81a2a5875e9099",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.164,
"b": 60.487,
"c": 77.320,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.640,1.490],
"number_observations": 228832,
"number_observations_unique": 35654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.490],
"number_observations": 8377,
"number_observations_unique": 1526,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.505
},
{
"type": "R(meas)",
"value": 2.764
},
{
"type": "R(pim)",
"value": 1.141
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [47.640,8.180],
"number_observations": 1628,
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}