Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6b41d9889a98f42a44a5dd5f3c52309",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.312,
"b": 73.025,
"c": 52.703,
"alpha": 90.00,
"beta": 109.46,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.724,1.260],
"number_observations": 354855,
"number_observations_unique": 84902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 8.810
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.179
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.260],
"number_observations": 49879,
"number_observations_unique": 12810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 2.220
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [1.430,1.340],
"number_observations": 54564,
"number_observations_unique": 12872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 3.540
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [1.540,1.430],
"number_observations": 50987,
"number_observations_unique": 12006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 5.290
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [1.690,1.540],
"number_observations": 47336,
"number_observations_unique": 11141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.890,1.690],
"number_observations": 43109,
"number_observations_unique": 10163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 10.590
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.180,1.890],
"number_observations": 37874,
"number_observations_unique": 8980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.670,2.180],
"number_observations": 32283,
"number_observations_unique": 7657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 15.960
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.770,2.670],
"number_observations": 25073,
"number_observations_unique": 5956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 17.840
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [42.724,3.770],
"number_observations": 13750,
"number_observations_unique": 3317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}