Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d7180c01d98d8e9ee46d167db80ba2a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.853,
"b": 69.447,
"c": 57.250,
"alpha": 90.00,
"beta": 92.83,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.150,1.930],
"number_observations": 219255,
"number_observations_unique": 31692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 14796,
"number_observations_unique": 2069,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.448
},
{
"type": "R(meas)",
"value": 3.714
},
{
"type": "R(pim)",
"value": 1.372
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.178
}
]
},
{
"resolution_limits": [57.150,9.060],
"number_observations": 1955,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 38.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}