Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b1624aba4d4d96617adba0a85f82ce3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.939,
"b": 64.053,
"c": 74.687,
"alpha": 90.00,
"beta": 125.72,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.800,2.150],
"number_observations": 96518,
"number_observations_unique": 23897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 8363,
"number_observations_unique": 2050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.876
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [34.800,8.870],
"number_observations": 1377,
"number_observations_unique": 366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}