Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1171fe68559b095e8d26d9a3f136cad",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.05,
"b": 50.53,
"c": 130.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.240,1.560],
"number_observations": 405808,
"number_observations_unique": 32946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.560],
"number_observations": 51526,
"number_observations_unique": 4662,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.489
},
{
"type": "R(meas)",
"value": 1.563
},
{
"type": "R(pim)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [65.240,4.920],
"number_observations": 12563,
"number_observations_unique": 1209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}