Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4581e8fd4e770b350a1eebbf6a8b3d7c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.823,
"b": 58.208,
"c": 114.577,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.3500,1.280],
"number_observations": 512302,
"number_observations_unique": 89972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.280],
"number_observations": 25457,
"number_observations_unique": 6508,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.014
},
{
"type": "R(meas)",
"value": 1.173
},
{
"type": "R(pim)",
"value": 0.580
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.636
}
]
},
{
"resolution_limits": [58.200,5.720],
"number_observations": 6652,
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 41.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}