Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d6fe371b32385e457757a8bac7af415",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 43.299,
"b": 49.346,
"c": 288.695,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.350,3.010],
"number_observations": 51175,
"number_observations_unique": 11474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [3.190,3.010],
"number_observations": 7683,
"number_observations_unique": 1763,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.309
},
{
"type": "R(meas)",
"value": 1.502
},
{
"type": "R(pim)",
"value": 0.713
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.201
}
]
},
{
"resolution_limits": [49.350,9.030],
"number_observations": 1888,
"number_observations_unique": 464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}