Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f20ca5efebccfe2b9a64bd66d348a048",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.144,
"b": 64.400,
"c": 47.131,
"alpha": 90.00,
"beta": 100.14,
"gamma": 90.00
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.71,2.500],
"number_observations_unique": 7616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.500],
"number_observations": 4022,
"number_observations_unique": 839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [28.710,8.290],
"number_observations": 1400,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}