Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53c910e20da91516a25655758fbf0af1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.51,
"b": 26.47,
"c": 55.72,
"alpha": 90.00,
"beta": 99.68,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.170,1.220],
"number_observations": 77712,
"number_observations_unique": 27495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 78.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.220],
"number_observations": 871,
"number_observations_unique": 536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "R(meas)",
"value": 0.873
},
{
"type": "R(pim)",
"value": 0.617
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 21.100
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [40.170,5.460],
"number_observations": 1229,
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 42.900
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}