Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7187d3eb95197c621048131fb78634de",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.104,
"b": 67.903,
"c": 78.765,
"alpha": 90.00,
"beta": 104.32,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.903,2.000],
"number_observations": 142042,
"number_observations_unique": 40729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 17977,
"number_observations_unique": 5734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 18280,
"number_observations_unique": 5607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "R(pim)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 17972,
"number_observations_unique": 5318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 17660,
"number_observations_unique": 4965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 17184,
"number_observations_unique": 4642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 15544,
"number_observations_unique": 4178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 13417,
"number_observations_unique": 3646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 11032,
"number_observations_unique": 3013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [6.320,4.470],
"number_observations": 8523,
"number_observations_unique": 2338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [67.903,6.320],
"number_observations": 4453,
"number_observations_unique": 1288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}