Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "295e27f2d5494f3b29f67b0482c9164d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.529,
"b": 53.304,
"c": 44.465,
"alpha": 90.00,
"beta": 103.23,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.180,2.060],
"number_observations": 58793,
"number_observations_unique": 16137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.060],
"number_observations": 4418,
"number_observations_unique": 1245,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.207
},
{
"type": "R(meas)",
"value": 1.438
},
{
"type": "R(pim)",
"value": 0.771
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.362
}
]
},
{
"resolution_limits": [55.180,8.970],
"number_observations": 804,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}