Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75cb8ba7e8fdbf3dc66c363baf9cb8b2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.72,
"b": 57.13,
"c": 114.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.480,1.530],
"number_observations": 338532,
"number_observations_unique": 52252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.530],
"number_observations": 25677,
"number_observations_unique": 3811,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.587
},
{
"type": "R(meas)",
"value": 1.720
},
{
"type": "R(pim)",
"value": 0.660
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.550
}
]
},
{
"resolution_limits": [57.480,6.840],
"number_observations": 4088,
"number_observations_unique": 696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 40.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}