Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e14676a9351ae97ef47b9a3d3ec5bad3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.668,
"b": 69.710,
"c": 57.643,
"alpha": 90.00,
"beta": 92.32,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.880,1.800],
"number_observations": 275602,
"number_observations_unique": 38923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 15705,
"number_observations_unique": 2173,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.309
},
{
"type": "R(meas)",
"value": 2.496
},
{
"type": "R(pim)",
"value": 0.938
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.191
}
]
},
{
"resolution_limits": [34.880,8.990],
"number_observations": 1978,
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}