Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf6c99dcbf8f4501f206af6b4b9e9442",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.775,
"b": 57.557,
"c": 114.791,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.450,2.420],
"number_observations": 86938,
"number_observations_unique": 13667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.420],
"number_observations": 6590,
"number_observations_unique": 974,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.822
},
{
"type": "R(meas)",
"value": 1.972
},
{
"type": "R(pim)",
"value": 0.747
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [57.450,10.820],
"number_observations": 1080,
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}