Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "119ecb14919f12deb89815fd90e3c86a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.194,
"b": 51.525,
"c": 79.127,
"alpha": 90.00,
"beta": 92.25,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.160,1.5370],
"number_observations_unique": 52973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.540],
"number_observations": 15833,
"number_observations_unique": 2442,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.357
},
{
"type": "R(meas)",
"value": 1.473
},
{
"type": "R(pim)",
"value": 0.564
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [44.160,8.420],
"number_observations": 2378,
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 55.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}