Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b199667aad5e61ffa212d10c560172b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.638,
"b": 70.002,
"c": 57.690,
"alpha": 90.00,
"beta": 92.66,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.610,1.970],
"number_observations": 211171,
"number_observations_unique": 30103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 15868,
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.466
},
{
"type": "R(meas)",
"value": 2.654
},
{
"type": "R(pim)",
"value": 0.976
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.304
}
]
},
{
"resolution_limits": [53.610,8.810],
"number_observations": 2166,
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 46.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}