Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ca287a1b9c4c260ac1d59810fd67121e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.387,
"b": 83.569,
"c": 58.732,
"alpha": 90.00,
"beta": 108.88,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.570,1.350],
"number_observations": 427182,
"number_observations_unique": 82016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 74.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 409,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.160
},
{
"type": "R(meas)",
"value": 1.640
},
{
"type": "R(pim)",
"value": 1.160
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 7.500
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [55.570,7.400],
"number_observations": 4593,
"number_observations_unique": 715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 43.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}