Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0abe2189d572dbfa6ee0d9fe50949ce0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.281,
"b": 51.296,
"c": 78.926,
"alpha": 90.00,
"beta": 92.08,
"gamma": 90.00
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.250,1.5390],
"number_observations_unique": 52141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 17617,
"number_observations_unique": 2512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.580
},
{
"type": "R(meas)",
"value": 0.626
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [44.250,8.430],
"number_observations": 2365,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}