Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "036cf550ece4036dc24077e82abef52c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.52,
"b": 37.45,
"c": 62.65,
"alpha": 90.00,
"beta": 95.11,
"gamma": 90.00
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.330,2.310],
"number_observations": 65692,
"number_observations_unique": 9815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.310],
"number_observations": 4034,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.506
},
{
"type": "R(meas)",
"value": 1.654
},
{
"type": "R(pim)",
"value": 0.671
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.257
}
]
},
{
"resolution_limits": [47.330,10.340],
"number_observations": 674,
"number_observations_unique": 125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}