Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb11a940ca5a6d7c35c371914ca13d6c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.76,
"b": 63.26,
"c": 39.58,
"alpha": 90.00,
"beta": 104.81,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.260,2.060],
"number_observations": 70351,
"number_observations_unique": 11241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.060],
"number_observations": 5721,
"number_observations_unique": 868,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.217
},
{
"type": "R(meas)",
"value": 1.321
},
{
"type": "R(pim)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [63.260,8.990],
"number_observations": 971,
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 31.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}