Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33a61050c496659659e293ca694434e9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 209.353,
"b": 450.715,
"c": 622.271,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,3.600],
"number_observations": 4402869,
"number_observations_unique": 668775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "R(meas)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 7.290
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
"refln_shells": [
{
"resolution_limits": [3.700,3.600],
"number_observations": 335217,
"number_observations_unique": 52582,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.251
},
{
"type": "R(meas)",
"value": 1.353
},
{
"type": "I/SigI",
"value": 1.640
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.800,3.700],
"number_observations": 305753,
"number_observations_unique": 47303,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.041
},
{
"type": "R(meas)",
"value": 1.125
},
{
"type": "I/SigI",
"value": 2.010
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.000,3.800],
"number_observations": 525231,
"number_observations_unique": 80941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.840
},
{
"type": "R(meas)",
"value": 0.907
},
{
"type": "I/SigI",
"value": 2.610
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 1571229,
"number_observations_unique": 237910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 4.750
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [10.000,5.000],
"number_observations": 1464152,
"number_observations_unique": 218626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 11.510
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [50,10.000],
"number_observations": 201287,
"number_observations_unique": 31413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 26.620
},
{
"type": "Completeness",
"value": 96.100
}
]
}
]
}