Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ff3192bc82c1c7940a60c956b3061cb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.303,
"b": 80.796,
"c": 115.276,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 31909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 3104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 3145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 3131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 3145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 3167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 3161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 3202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 3212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 3232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [50.000,4.090],
"number_observations_unique": 3410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.200
}
]
}
]
}