Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1990ad10db7a58c4b8bbf318d4944848",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 109.705,
"b": 112.074,
"c": 116.482,
"alpha": 90.00,
"beta": 114.83,
"gamma": 90.00
},
"wavelengths": [1.28000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.150,3.200],
"number_observations": 175073,
"number_observations_unique": 42258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.320,3.200],
"number_observations": 18795,
"number_observations_unique": 4403,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.729
},
{
"type": "R(meas)",
"value": 1.979
},
{
"type": "R(pim)",
"value": 0.947
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.315
}
]
},
{
"resolution_limits": [39.150,11.970],
"number_observations": 3181,
"number_observations_unique": 826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 48.500
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}