Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "64f862728f3da8b5f7ae2eb1dc713106",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.573,
"b": 77.251,
"c": 48.623,
"alpha": 90.00,
"beta": 91.54,
"gamma": 90.00
},
"wavelengths": [0.95360],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.560,1.290],
"number_observations": 580633,
"number_observations_unique": 87661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 25874,
"number_observations_unique": 4267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "R(meas)",
"value": 1.065
},
{
"type": "R(pim)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [47.560,7.070],
"number_observations": 3584,
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}