Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12bb6a5441a28d0e60202092282d36c0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.500,
"b": 62.666,
"c": 74.462,
"alpha": 90.00,
"beta": 126.58,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.920,1.970],
"number_observations": 128499,
"number_observations_unique": 30934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.970],
"number_observations": 8613,
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.721
},
{
"type": "R(meas)",
"value": 0.827
},
{
"type": "R(pim)",
"value": 0.402
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [47.920,9.010],
"number_observations": 1232,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}